1-but-3-en-2-yl-1-methoxycyclohexane

C11H20O — CID 10397197

IUPAC1-but-3-en-2-yl-1-methoxycyclohexane
SMILESC=CC(C)C1(OC)CCCCC1
InChIInChI=1S/C11H20O/c1-4-10(2)11(12-3)8-6-5-7-9-11/h4,10H,1,5-9H2,2-3H3
InChIKeyUKNUDNAXKMFYMP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 1-but-3-en-2-yl-1-methoxycyclohexane

1-but-3-en-2-yl-1-methoxycyclohexane (PubChem CID 10397197) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-1-methoxycyclohexane.

Molecular Properties

Compound Name1-but-3-en-2-yl-1-methoxycyclohexane
PubChem CID10397197
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-but-3-en-2-yl-1-methoxycyclohexane
SMILESC=CC(C)C1(OC)CCCCC1
InChIInChI=1S/C11H20O/c1-4-10(2)11(12-3)8-6-5-7-9-11/h4,10H,1,5-9H2,2-3H3
InChIKeyUKNUDNAXKMFYMP-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Oxaspiro(5.5)undecene, 4-methyl-
CID 109244
Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-
CID 117339
2-Cyclohexylpent-4-en-2-ol
CID 15497572
1-Allyl-1-methoxy-cyclohexane
CID 10964733
2-Cyclohexyl-hex-5-en-2-ol
CID 538697
Cyclohexanol, 1-(1-methyl-2-propenyl)-
CID 3496268
1-(2-Methylbut-3-enyl)cyclohexan-1-ol
CID 11062805
1,1-Difluoro-4-methoxy-4-prop-2-enylcyclohexane
CID 122552816
8-Methyl-1-oxaspiro[4.5]dec-2-ene
CID 22326210
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
1-Penta-1,4-dien-3-ylcyclohexan-1-ol
CID 10953900
1-Ethenoxy-1-prop-2-enylcyclohexane
CID 11535617

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-1-methoxycyclohexane?
The IUPAC name of 1-but-3-en-2-yl-1-methoxycyclohexane (CID 10397197) is 1-but-3-en-2-yl-1-methoxycyclohexane.
What is the SMILES notation for 1-but-3-en-2-yl-1-methoxycyclohexane?
The canonical SMILES for 1-but-3-en-2-yl-1-methoxycyclohexane is C=CC(C)C1(OC)CCCCC1.
What is the InChIKey of 1-but-3-en-2-yl-1-methoxycyclohexane?
The InChIKey is UKNUDNAXKMFYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10(2)11(12-3)8-6-5-7-9-11/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-1-methoxycyclohexane?
1-but-3-en-2-yl-1-methoxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-1-methoxycyclohexane is sourced from PubChem (CID 10397197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).