1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C16H28 — CID 123685211

IUPAC1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC=CCCC(C)(C)C1CCC2CCCCC21
InChIInChI=1S/C16H28/c1-4-5-12-16(2,3)15-11-10-13-8-6-7-9-14(13)15/h4,13-15H,1,5-12H2,2-3H3
InChIKeyRPVONHXPCQZMMP-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds4

About 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 123685211) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID123685211
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC=CCCC(C)(C)C1CCC2CCCCC21
InChIInChI=1S/C16H28/c1-4-5-12-16(2,3)15-11-10-13-8-6-7-9-14(13)15/h4,13-15H,1,5-12H2,2-3H3
InChIKeyRPVONHXPCQZMMP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085901
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
3-[2-(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)propan-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91521883
CID 174147625
CID 174147625
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
(4aS)-2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluorene
CID 176838554
1-ethyl-3-(2-methylhex-5-en-2-yl)cyclopentane
CID 163864927
1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
CID 90932670
9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91126334
N,5-dimethyl-2-(2-methylhept-6-en-2-yl)cyclohexan-1-amine
CID 64764257
2-(cyclopentylamino)-2-methylhex-5-enenitrile
CID 104655926
2-(cycloheptylamino)-2-methylhex-5-enenitrile
CID 104655930

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 123685211) is 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C=CCCC(C)(C)C1CCC2CCCCC21.
What is the InChIKey of 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is RPVONHXPCQZMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-5-12-16(2,3)15-11-10-13-8-6-7-9-14(13)15/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 220.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 123685211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).