buta-1,3-dien-2-yloxycyclohexane

C10H16O — CID 142221806

IUPACbuta-1,3-dien-2-yloxycyclohexane
SMILESC=CC(=C)OC1CCCCC1
InChIInChI=1S/C10H16O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1-2,4-8H2
InChIKeyZCFUGPSJGMNLGQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds3

About buta-1,3-dien-2-yloxycyclohexane

buta-1,3-dien-2-yloxycyclohexane (PubChem CID 142221806) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is buta-1,3-dien-2-yloxycyclohexane.

Molecular Properties

Compound Namebuta-1,3-dien-2-yloxycyclohexane
PubChem CID142221806
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namebuta-1,3-dien-2-yloxycyclohexane
SMILESC=CC(=C)OC1CCCCC1
InChIInChI=1S/C10H16O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1-2,4-8H2
InChIKeyZCFUGPSJGMNLGQ-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
CID 174909348
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
3-methylbuta-1,3-dien-2-yloxycyclopentane
CID 163541173
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
CID 178055171

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yloxycyclohexane?
The IUPAC name of buta-1,3-dien-2-yloxycyclohexane (CID 142221806) is buta-1,3-dien-2-yloxycyclohexane.
What is the SMILES notation for buta-1,3-dien-2-yloxycyclohexane?
The canonical SMILES for buta-1,3-dien-2-yloxycyclohexane is C=CC(=C)OC1CCCCC1.
What is the InChIKey of buta-1,3-dien-2-yloxycyclohexane?
The InChIKey is ZCFUGPSJGMNLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1-2,4-8H2.
What are the key properties of buta-1,3-dien-2-yloxycyclohexane?
buta-1,3-dien-2-yloxycyclohexane has a molecular weight of 152.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yloxycyclohexane is sourced from PubChem (CID 142221806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).