3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol

C11H16O2 — CID 177027220

IUPAC3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol
SMILESOC1CC(OCC2=CCCC=C2)C1
InChIInChI=1S/C11H16O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h2,4-5,10-12H,1,3,6-8H2
InChIKeyTWDORILQLLCZPU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds3

About 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol

3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol (PubChem CID 177027220) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol
PubChem CID177027220
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol
SMILESOC1CC(OCC2=CCCC=C2)C1
InChIInChI=1S/C11H16O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h2,4-5,10-12H,1,3,6-8H2
InChIKeyTWDORILQLLCZPU-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol
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CID 163680872
2-(2-bromoethoxymethyl)cyclohexa-1,3-diene
CID 144572735
cyclohexa-1,5-dien-1-ylmethyl 2-formylpyrrolidine-1-carboxylate
CID 142850854
cyclohexa-1,5-dien-1-ylmethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 143746438
3-(cyclohexa-1,5-dien-1-ylmethoxy)benzoyl chloride
CID 142144146
2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene
CID 144519200
cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
CID 142457192
cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
CID 145375430
2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 142532065
cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
CID 143473828
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
CID 22094676

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol (CID 177027220) is 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol is OC1CC(OCC2=CCCC=C2)C1.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol?
The InChIKey is TWDORILQLLCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h2,4-5,10-12H,1,3,6-8H2.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol?
3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol is sourced from PubChem (CID 177027220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).