4-(hydroxymethyl)cyclohex-3-en-1-ol

C7H12O2 — CID 130125298

IUPAC4-(hydroxymethyl)cyclohex-3-en-1-ol
SMILESOCC1=CCC(O)CC1
InChIInChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h1,7-9H,2-5H2
InChIKeyGYUTZTWDZUCOAO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.45
Rot. Bonds1

About 4-(hydroxymethyl)cyclohex-3-en-1-ol

4-(hydroxymethyl)cyclohex-3-en-1-ol (PubChem CID 130125298) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)cyclohex-3-en-1-ol
PubChem CID130125298
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-(hydroxymethyl)cyclohex-3-en-1-ol
SMILESOCC1=CCC(O)CC1
InChIInChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h1,7-9H,2-5H2
InChIKeyGYUTZTWDZUCOAO-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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

4-(2-hydroxypropyl)cyclohex-3-en-1-ol
CID 85404808
[(4R)-4-propylcyclohexen-1-yl]methanol
CID 163783069
2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
CID 72978336
[4-(ethylaminomethyl)cyclohexen-1-yl]methanol
CID 123453013
4-ethylcyclohept-4-en-1-ol
CID 91248239
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
CID 124635727
(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
(1R)-4-methoxycyclohex-3-en-1-ol
CID 86316817
[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
CID 166967627
[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol
CID 102358461
4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride
CID 70187484

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(hydroxymethyl)cyclohex-3-en-1-ol (CID 130125298) is 4-(hydroxymethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(hydroxymethyl)cyclohex-3-en-1-ol is OCC1=CCC(O)CC1.
What is the InChIKey of 4-(hydroxymethyl)cyclohex-3-en-1-ol?
The InChIKey is GYUTZTWDZUCOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h1,7-9H,2-5H2.
What are the key properties of 4-(hydroxymethyl)cyclohex-3-en-1-ol?
4-(hydroxymethyl)cyclohex-3-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 130125298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).