(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol

C10H18O2 — CID 155766086

IUPAC(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol
SMILESC/C(CO)=C1/CC(CO)C1(C)C
InChIInChI=1S/C10H18O2/c1-7(5-11)9-4-8(6-12)10(9,2)3/h8,11-12H,4-6H2,1-3H3/b9-7+
InChIKeyGRZWDPDFIIVJHP-VQHVLOKHSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol

(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol (PubChem CID 155766086) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol.

Molecular Properties

Compound Name(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol
PubChem CID155766086
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol
SMILESC/C(CO)=C1/CC(CO)C1(C)C
InChIInChI=1S/C10H18O2/c1-7(5-11)9-4-8(6-12)10(9,2)3/h8,11-12H,4-6H2,1-3H3/b9-7+
InChIKeyGRZWDPDFIIVJHP-VQHVLOKHSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3Z)-3-(1-acetyloxypropan-2-ylidene)-2,2-dimethylcyclobutyl]methyl acetate
CID 155766065
(2,2-dimethyl-3-prop-1-enylidenecyclobutyl)methanol
CID 167543453
2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
CID 14380813
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
CID 165387213
carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
CID 167610195
2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
CID 11019846
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
(2E)-2-[(4aS,7S,8aS)-7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene]propan-1-ol
CID 58384236
(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
CID 67421216
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol?
The IUPAC name of (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol (CID 155766086) is (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol.
What is the SMILES notation for (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol?
The canonical SMILES for (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol is C/C(CO)=C1/CC(CO)C1(C)C.
What is the InChIKey of (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol?
The InChIKey is GRZWDPDFIIVJHP-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(5-11)9-4-8(6-12)10(9,2)3/h8,11-12H,4-6H2,1-3H3/b9-7+.
What are the key properties of (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol?
(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol is sourced from PubChem (CID 155766086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).