ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene

C40H64 — CID 155697561

IUPACethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)C1CCCCC1.C=C(C)c1cccc(CC(C)C)c1.C=CC.CC.Cc1ccc2c(c1C)CC(C)CC2
InChIInChI=1S/2C13H18.C9H16.C3H6.C2H6/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h5,7,9H,4,6,8H2,1-3H3;5-7,9-10H,3,8H2,1-2,4H3;9H,1,3-7H2,2H3;3H,1H2,2H3;1-2H3
InChIKeySFTXRTLZLLUFPR-UHFFFAOYSA-N
MW544.95 g/mol
LogP12.71
Rot. Bonds4

About ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene

ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 155697561) has the molecular formula C40H64 and a molecular weight of 544.95 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID155697561
Molecular FormulaC40H64
Molecular Weight544.95 g/mol
Exact Mass544.50
IUPAC Nameethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)C1CCCCC1.C=C(C)c1cccc(CC(C)C)c1.C=CC.CC.Cc1ccc2c(c1C)CC(C)CC2
InChIInChI=1S/2C13H18.C9H16.C3H6.C2H6/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h5,7,9H,4,6,8H2,1-3H3;5-7,9-10H,3,8H2,1-2,4H3;9H,1,3-7H2,2H3;3H,1H2,2H3;1-2H3
InChIKeySFTXRTLZLLUFPR-UHFFFAOYSA-N
XLogP12.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.95
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 155133155
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene
CID 143245985
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
[3-(2-methylpropyl)phenyl]-(thian-2-yl)methanone
CID 116543418
1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid
CID 70165401
1-(1-cyclopentylethenyl)-4-(2-methylpropyl)benzene
CID 178141124
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 155133011
3-(2-methylpropyl)benzamide
CID 23130390
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene (CID 155697561) is ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene is C=C(C)C1CCCCC1.C=C(C)c1cccc(CC(C)C)c1.C=CC.CC.Cc1ccc2c(c1C)CC(C)CC2.
What is the InChIKey of ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SFTXRTLZLLUFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18.C9H16.C3H6.C2H6/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h5,7,9H,4,6,8H2,1-3H3;5-7,9-10H,3,8H2,1-2,4H3;9H,1,3-7H2,2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene?
ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 544.95 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 155697561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).