(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol

C8H14O2 — CID 134980237

IUPAC(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol
SMILESC[C@@H]1C=C[C@H](CO)C(O)C1
InChIInChI=1S/C8H14O2/c1-6-2-3-7(5-9)8(10)4-6/h2-3,6-10H,4-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyXERLBFMQBBEZFH-GCJDJSOWSA-N
MW142.20 g/mol
LogP0.55
Rot. Bonds1

About (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol

(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol (PubChem CID 134980237) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol
PubChem CID134980237
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol
SMILESC[C@@H]1C=C[C@H](CO)C(O)C1
InChIInChI=1S/C8H14O2/c1-6-2-3-7(5-9)8(10)4-6/h2-3,6-10H,4-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyXERLBFMQBBEZFH-GCJDJSOWSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.55
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 (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol?
The IUPAC name of (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol (CID 134980237) is (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol.
What is the SMILES notation for (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol?
The canonical SMILES for (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol is C[C@@H]1C=C[C@H](CO)C(O)C1.
What is the InChIKey of (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol?
The InChIKey is XERLBFMQBBEZFH-GCJDJSOWSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-2-3-7(5-9)8(10)4-6/h2-3,6-10H,4-5H2,1H3/t6-,7-,8?/m1/s1.
What are the key properties of (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol?
(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 134980237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).