[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol

C9H16O2 — CID 130146503

IUPAC[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol
SMILESCC1=C(C)C(C)(CO)C1CO
InChIInChI=1S/C9H16O2/c1-6-7(2)9(3,5-11)8(6)4-10/h8,10-11H,4-5H2,1-3H3
InChIKeyLCVLRDJWGSETNH-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.94
Rot. Bonds2

About [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol

[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol (PubChem CID 130146503) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol
PubChem CID130146503
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol
SMILESCC1=C(C)C(C)(CO)C1CO
InChIInChI=1S/C9H16O2/c1-6-7(2)9(3,5-11)8(6)4-10/h8,10-11H,4-5H2,1-3H3
InChIKeyLCVLRDJWGSETNH-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.94
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

(2,3,4,4-tetramethylcyclopent-2-en-1-yl)methanol
CID 579299
4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 85401037
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70672909
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
CID 14380813
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
2-[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
CID 21437384
4,5-bis(hydroxymethyl)-6-imino-5-methyl-1,3-diazinan-2-one
CID 176684581
2-(hydroxymethyl)-3,3,6-trimethyl-2H-inden-1-one
CID 139680058
[(2S)-2,3,3-trimethyloxiran-2-yl]methanol
CID 45120381
(2R,3R)-3-hydroxy-2-(hydroxymethyl)-2,5,6,7-tetramethyl-3H-inden-1-one
CID 118753097

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol (CID 130146503) is [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol is CC1=C(C)C(C)(CO)C1CO.
What is the InChIKey of [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol?
The InChIKey is LCVLRDJWGSETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-7(2)9(3,5-11)8(6)4-10/h8,10-11H,4-5H2,1-3H3.
What are the key properties of [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol?
[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 130146503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).