(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol

C10H18O2 — CID 130719581

IUPAC(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO)C(C)(C)[C@H](O)CC1
InChIInChI=1S/C10H18O2/c1-7-4-5-9(12)10(2,3)8(7)6-11/h9,11-12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyOPNAUGLHLAFIMK-SECBINFHSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds1

About (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol

(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol (PubChem CID 130719581) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol
PubChem CID130719581
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO)C(C)(C)[C@H](O)CC1
InChIInChI=1S/C10H18O2/c1-7-4-5-9(12)10(2,3)8(7)6-11/h9,11-12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyOPNAUGLHLAFIMK-SECBINFHSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.48
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

(1S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 132551505
(E)-1-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
CID 70560844
3-hydroxyimino-2,2-dimethylcyclopentan-1-ol
CID 86707700
chloro-[(1S)-3-(3-hydroxypropyl)-2,2,4-trimethylcyclohex-3-en-1-yl]mercury
CID 135075604
3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaenyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 88673494
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 162904380
(1S,4Z)-4-ethylidene-2,2-dimethylcyclohexan-1-ol
CID 101374109
(2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 6506621
3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
CID 175769076
CID 175769076
hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
CID 175743321

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol?
The IUPAC name of (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol (CID 130719581) is (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol is CC1=C(CO)C(C)(C)[C@H](O)CC1.
What is the InChIKey of (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol?
The InChIKey is OPNAUGLHLAFIMK-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-9(12)10(2,3)8(7)6-11/h9,11-12H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol?
(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 130719581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).