trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol

C11H20O2 — CID 71726289

IUPACtrans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@@]1(O)CCCC[C@@]1(C)CO
InChIInChI=1S/C11H20O2/c1-3-6-11(13)8-5-4-7-10(11,2)9-12/h3,12-13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyNJOAGTDVUQTVGG-WDEREUQCSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds3

About trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol

trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol (PubChem CID 71726289) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
PubChem CID71726289
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@@]1(O)CCCC[C@@]1(C)CO
InChIInChI=1S/C11H20O2/c1-3-6-11(13)8-5-4-7-10(11,2)9-12/h3,12-13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyNJOAGTDVUQTVGG-WDEREUQCSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
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-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
CID 45083258
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclodecan-1-ol
CID 102287484
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
(6S,10R)-6,10-bis(prop-2-enyl)spiro[4.5]dec-2-ene-6,10-diol
CID 101053785
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588
(2-ethenyl-1-methyl-2-propan-2-ylcyclopentyl)methanol
CID 130127211
(1-prop-2-enylcyclopropyl)methanol
CID 534677
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
(1R,2S,4R)-4-tert-butyl-2-methyl-1-prop-2-enylcyclohexane-1,2-diol
CID 100914447

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol (CID 71726289) is trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol is C=CC[C@@]1(O)CCCC[C@@]1(C)CO.
What is the InChIKey of trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is NJOAGTDVUQTVGG-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(13)8-5-4-7-10(11,2)9-12/h3,12-13H,1,4-9H2,2H3/t10-,11+/m0/s1.
What are the key properties of trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol?
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 71726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).