cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol

C8H14O2 — CID 134964075

IUPACcis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
SMILESC=C1C[C@@H](O)CC(C)[C@H]1O
InChIInChI=1S/C8H14O2/c1-5-3-7(9)4-6(2)8(5)10/h6-10H,1,3-4H2,2H3/t6?,7-,8+/m1/s1
InChIKeyGRVPNOCRTMCMEY-VVXQKDJTSA-N
MW142.20 g/mol
LogP0.69
Rot. Bonds

About cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol

cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol (PubChem CID 134964075) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol.

Molecular Properties

Compound Namecis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
PubChem CID134964075
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
SMILESC=C1C[C@@H](O)CC(C)[C@H]1O
InChIInChI=1S/C8H14O2/c1-5-3-7(9)4-6(2)8(5)10/h6-10H,1,3-4H2,2H3/t6?,7-,8+/m1/s1
InChIKeyGRVPNOCRTMCMEY-VVXQKDJTSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-3-methylcyclohexan-1-one
CID 130036383
(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
CID 10932014
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
5-bromo-1,3-dimethyl-2-methylidenecyclohexane
CID 90900208
(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol
CID 158183619
4-ethyl-1-methyl-2-methylidenecyclopentane
CID 149065726
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
CID 143238744

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol?
The IUPAC name of cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol (CID 134964075) is cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol.
What is the SMILES notation for cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol?
The canonical SMILES for cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol is C=C1C[C@@H](O)CC(C)[C@H]1O.
What is the InChIKey of cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol?
The InChIKey is GRVPNOCRTMCMEY-VVXQKDJTSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-7(9)4-6(2)8(5)10/h6-10H,1,3-4H2,2H3/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol?
cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol has a molecular weight of 142.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol is sourced from PubChem (CID 134964075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).