2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene

C75H140O2 — CID 161253629

IUPAC2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
SMILESC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.O=C1CCCc2ccccc21.O=C1CCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H10O.C10H12.C9H8O.C9H10.4C4H10.4C3H8.4C2H6.CH4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-9-7-3-6-8(9)4-1;4*1-4(2)3;4*1-3-2;4*1-2;/h1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-4H,5-6H2;1-2,4-5H,3,6-7H2;4*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;1H4
InChIKeyVBPJZVSLEWDGEN-UHFFFAOYSA-N
MW1073.94 g/mol
LogP25.82
Rot. Bonds

About 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene

2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene (PubChem CID 161253629) has the molecular formula C75H140O2 and a molecular weight of 1073.94 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
PubChem CID161253629
Molecular FormulaC75H140O2
Molecular Weight1073.94 g/mol
Exact Mass1073.09
IUPAC Name2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
SMILESC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.O=C1CCCc2ccccc21.O=C1CCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H10O.C10H12.C9H8O.C9H10.4C4H10.4C3H8.4C2H6.CH4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-9-7-3-6-8(9)4-1;4*1-4(2)3;4*1-3-2;4*1-2;/h1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-4H,5-6H2;1-2,4-5H,3,6-7H2;4*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;1H4
InChIKeyVBPJZVSLEWDGEN-UHFFFAOYSA-N
XLogP25.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.94
LogP ≤ 525.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
CID 158268251
benzene;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 159746722
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
ethane;1-propylidene-3,4-dihydronaphthalen-2-one
CID 91507924
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydro-1H-indene;methane
CID 158581717
bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-indene;5,6,7,8,9,10-hexahydrobenzo[8]annulene;6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene;5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene;1,2-xylene
CID 159244193
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene (CID 161253629) is 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene is C.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.O=C1CCCc2ccccc21.O=C1CCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is VBPJZVSLEWDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C10H12.C9H8O.C9H10.4C4H10.4C3H8.4C2H6.CH4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-9-7-3-6-8(9)4-1;4*1-4(2)3;4*1-3-2;4*1-2;/h1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-4H,5-6H2;1-2,4-5H,3,6-7H2;4*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;1H4.
What are the key properties of 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene?
2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1073.94 g/mol, XLogP of 25.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161253629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).