(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol

C7H12O2 — CID 11094632

IUPAC(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@H]1CC=C[C@@H](O)C1
InChIInChI=1S/C7H12O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6-9H,2,4-5H2/t6-,7+/m0/s1
InChIKeyJMVASHRLICGBHU-NKWVEPMBSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds1

About (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol

(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol (PubChem CID 11094632) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
PubChem CID11094632
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@H]1CC=C[C@@H](O)C1
InChIInChI=1S/C7H12O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6-9H,2,4-5H2/t6-,7+/m0/s1
InChIKeyJMVASHRLICGBHU-NKWVEPMBSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
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

(5-aminocyclohex-3-en-1-yl)methanol
CID 73190674
5-iodocyclohex-2-en-1-ol
CID 146915953
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
1-(5-hydroxycyclohex-3-en-1-yl)ethanone
CID 71436445
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
1,2,3,4-tetrahydropyridin-3-ylmethanol
CID 68743914
ethyl 5-hydroxycyclohex-3-ene-1-carboxylate
CID 72828488
(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
CID 10583053
(1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
CID 45084418
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
CID 86334449
trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
CID 122468641

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol (CID 11094632) is (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol is OC[C@H]1CC=C[C@@H](O)C1.
What is the InChIKey of (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol?
The InChIKey is JMVASHRLICGBHU-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6-9H,2,4-5H2/t6-,7+/m0/s1.
What are the key properties of (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol?
(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11094632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).