methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C71H114 — CID 159483128

IUPACmethane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc2CC1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1C.CC(C)C1c2ccccc2CC1C
InChIInChI=1S/C14H20.3C13H18.C12H16.6CH4/c1-11(2)12-7-9-13-5-3-4-6-14(13)10-8-12;1-9(2)13-8-11-6-4-5-7-12(11)10(13)3;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;;;;/h3-6,11-12H,7-10H2,1-2H3;2*4-7,9-10,13H,8H2,1-3H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6*1H4
InChIKeyLXGCJDCQTFSIAT-UHFFFAOYSA-N
MW967.69 g/mol
LogP21.71
Rot. Bonds5

About methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159483128) has the molecular formula C71H114 and a molecular weight of 967.69 g/mol. Its IUPAC name is methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namemethane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID159483128
Molecular FormulaC71H114
Molecular Weight967.69 g/mol
Exact Mass966.89
IUPAC Namemethane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc2CC1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1C.CC(C)C1c2ccccc2CC1C
InChIInChI=1S/C14H20.3C13H18.C12H16.6CH4/c1-11(2)12-7-9-13-5-3-4-6-14(13)10-8-12;1-9(2)13-8-11-6-4-5-7-12(11)10(13)3;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;;;;/h3-6,11-12H,7-10H2,1-2H3;2*4-7,9-10,13H,8H2,1-3H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6*1H4
InChIKeyLXGCJDCQTFSIAT-UHFFFAOYSA-N
XLogP21.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.69
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 118421434
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
CID 18727347
1-propan-2-yl-4-tritio-2,3-dihydro-1H-indene
CID 155790145
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 159483128) is methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is C.C.C.C.C.C.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc2CC1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1C.CC(C)C1c2ccccc2CC1C.
What is the InChIKey of methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LXGCJDCQTFSIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.3C13H18.C12H16.6CH4/c1-11(2)12-7-9-13-5-3-4-6-14(13)10-8-12;1-9(2)13-8-11-6-4-5-7-12(11)10(13)3;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;;;;/h3-6,11-12H,7-10H2,1-2H3;2*4-7,9-10,13H,8H2,1-3H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6*1H4.
What are the key properties of methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 967.69 g/mol, XLogP of 21.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159483128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).