cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol

C14H24O — CID 10608458

IUPACcis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol
SMILESC=C1CCC[C@]1(C)[C@@]1(C)CCCC[C@@H]1O
InChIInChI=1S/C14H24O/c1-11-7-6-10-13(11,2)14(3)9-5-4-8-12(14)15/h12,15H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1
InChIKeyILTYJMPYJYNLKC-IHRRRGAJSA-N
MW208.34 g/mol
LogP3.67
Rot. Bonds1

About cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol

cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol (PubChem CID 10608458) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol
PubChem CID10608458
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol
SMILESC=C1CCC[C@]1(C)[C@@]1(C)CCCC[C@@H]1O
InChIInChI=1S/C14H24O/c1-11-7-6-10-13(11,2)14(3)9-5-4-8-12(14)15/h12,15H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1
InChIKeyILTYJMPYJYNLKC-IHRRRGAJSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-
CID 114559
trans-Dracunculifoliol
CID 6428328
4(15),11-Oppositadien-1-ol
CID 91895408
2-Methyl-2-(prop-1-EN-2-YL)cyclohexan-1-OL
CID 37894
(1R,4R,5R,9R)-1-methyl-8-methylidene-4-propan-2-ylspiro[4.5]decan-9-ol
CID 145953166
3-Methylidene-2-propan-2-ylcyclohexan-1-ol
CID 130149091
(S)-gamma-Cyclogeraniol
CID 11275129
2-(2,2-Dimethyl-6-methylenecyclohexyl)-ethanol
CID 10374825
Cyclohexanepropanol, 2,2-dimethyl-6-methylene-
CID 549684
(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CID 162420337
2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethan-1-ol
CID 162420349
[1-(3-Methylbut-3-enyl)cyclohexyl]methanol
CID 177855868

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol (CID 10608458) is cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol is C=C1CCC[C@]1(C)[C@@]1(C)CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol?
The InChIKey is ILTYJMPYJYNLKC-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H24O/c1-11-7-6-10-13(11,2)14(3)9-5-4-8-12(14)15/h12,15H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1.
What are the key properties of cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol?
cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexan-1-ol is sourced from PubChem (CID 10608458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).