(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane

C15H28 — CID 90760848

IUPAC(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
SMILESCC(C)CCC[C@]12CCCCC[C@H]1CC2
InChIInChI=1S/C15H28/c1-13(2)7-6-11-15-10-5-3-4-8-14(15)9-12-15/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZRTZMZQNXVSBCL-GJZGRUSLSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds4

About (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane

(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane (PubChem CID 90760848) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane.

Molecular Properties

Compound Name(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
PubChem CID90760848
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
SMILESCC(C)CCC[C@]12CCCCC[C@H]1CC2
InChIInChI=1S/C15H28/c1-13(2)7-6-11-15-10-5-3-4-8-14(15)9-12-15/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZRTZMZQNXVSBCL-GJZGRUSLSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1-cycloheptylcycloheptane
CID 140610618
4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol
CID 70449341
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
CID 123582188
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798
1-methoxy-1-(4-methylpentyl)cyclopentane
CID 21337503

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane?
The IUPAC name of (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane (CID 90760848) is (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane.
What is the SMILES notation for (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane?
The canonical SMILES for (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane is CC(C)CCC[C@]12CCCCC[C@H]1CC2.
What is the InChIKey of (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane?
The InChIKey is ZRTZMZQNXVSBCL-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28/c1-13(2)7-6-11-15-10-5-3-4-8-14(15)9-12-15/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane?
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane is sourced from PubChem (CID 90760848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).