3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene

C17H30 — CID 142490975

IUPAC3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
SMILESCC(C[C@@H](C)C1CCCCC1)C1C=CCCC1
InChIInChI=1S/C17H30/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h5,9,14-17H,3-4,6-8,10-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyYHZRUOBEWLBGDP-HWOWSKLDSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds4

About 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene

3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene (PubChem CID 142490975) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene.

Molecular Properties

Compound Name3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
PubChem CID142490975
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
SMILESCC(C[C@@H](C)C1CCCCC1)C1C=CCCC1
InChIInChI=1S/C17H30/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h5,9,14-17H,3-4,6-8,10-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyYHZRUOBEWLBGDP-HWOWSKLDSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine
CID 143524727
6-cyclohexyl-4-methylheptan-1-ol
CID 142413508
butan-2-ylcyclohexadecane
CID 123713671
2-cyclododecylpropan-1-ol;ethanol
CID 69400645

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene?
The IUPAC name of 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene (CID 142490975) is 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene.
What is the SMILES notation for 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene?
The canonical SMILES for 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene is CC(C[C@@H](C)C1CCCCC1)C1C=CCCC1.
What is the InChIKey of 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene?
The InChIKey is YHZRUOBEWLBGDP-HWOWSKLDSA-N. The full InChI is InChI=1S/C17H30/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h5,9,14-17H,3-4,6-8,10-13H2,1-2H3/t14?,15-,16?/m1/s1.
What are the key properties of 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene?
3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene has a molecular weight of 234.43 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene is sourced from PubChem (CID 142490975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).