3-methyl-3-propa-1,2-dienoxycyclohexene

C10H14O — CID 14961645

IUPAC3-methyl-3-propa-1,2-dienoxycyclohexene
SMILESC=C=COC1(C)C=CCCC1
InChIInChI=1S/C10H14O/c1-3-9-11-10(2)7-5-4-6-8-10/h5,7,9H,1,4,6,8H2,2H3
InChIKeyFQOAOCVSVBWWSS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.80
Rot. Bonds2

About 3-methyl-3-propa-1,2-dienoxycyclohexene

3-methyl-3-propa-1,2-dienoxycyclohexene (PubChem CID 14961645) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-3-propa-1,2-dienoxycyclohexene.

Molecular Properties

Compound Name3-methyl-3-propa-1,2-dienoxycyclohexene
PubChem CID14961645
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-3-propa-1,2-dienoxycyclohexene
SMILESC=C=COC1(C)C=CCCC1
InChIInChI=1S/C10H14O/c1-3-9-11-10(2)7-5-4-6-8-10/h5,7,9H,1,4,6,8H2,2H3
InChIKeyFQOAOCVSVBWWSS-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propa-1,2-dienoxycyclohexene?
The IUPAC name of 3-methyl-3-propa-1,2-dienoxycyclohexene (CID 14961645) is 3-methyl-3-propa-1,2-dienoxycyclohexene.
What is the SMILES notation for 3-methyl-3-propa-1,2-dienoxycyclohexene?
The canonical SMILES for 3-methyl-3-propa-1,2-dienoxycyclohexene is C=C=COC1(C)C=CCCC1.
What is the InChIKey of 3-methyl-3-propa-1,2-dienoxycyclohexene?
The InChIKey is FQOAOCVSVBWWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-9-11-10(2)7-5-4-6-8-10/h5,7,9H,1,4,6,8H2,2H3.
What are the key properties of 3-methyl-3-propa-1,2-dienoxycyclohexene?
3-methyl-3-propa-1,2-dienoxycyclohexene has a molecular weight of 150.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propa-1,2-dienoxycyclohexene is sourced from PubChem (CID 14961645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).