(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol

C10H18O2 — CID 11789643

IUPAC(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)[C@@]1(O)CC=C(CO)CC1
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h3,8,11-12H,4-7H2,1-2H3/t10-/m1/s1
InChIKeyGSEDQEXTVARKJC-SNVBAGLBSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds2

About (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol

(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol (PubChem CID 11789643) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
PubChem CID11789643
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)[C@@]1(O)CC=C(CO)CC1
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h3,8,11-12H,4-7H2,1-2H3/t10-/m1/s1
InChIKeyGSEDQEXTVARKJC-SNVBAGLBSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol?
The IUPAC name of (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol (CID 11789643) is (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol?
The canonical SMILES for (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol is CC(C)[C@@]1(O)CC=C(CO)CC1.
What is the InChIKey of (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol?
The InChIKey is GSEDQEXTVARKJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h3,8,11-12H,4-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol?
(1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol is sourced from PubChem (CID 11789643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).