1-prop-2-enoxy-1-prop-1-enylcyclohexane

C12H20O — CID 139894346

IUPAC1-prop-2-enoxy-1-prop-1-enylcyclohexane
SMILESC=CCOC1(C=CC)CCCCC1
InChIInChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4,8H,2,5-7,9-11H2,1H3
InChIKeyGUKATFBNEPXVTI-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds4

About 1-prop-2-enoxy-1-prop-1-enylcyclohexane

1-prop-2-enoxy-1-prop-1-enylcyclohexane (PubChem CID 139894346) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-prop-2-enoxy-1-prop-1-enylcyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxy-1-prop-1-enylcyclohexane
PubChem CID139894346
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-prop-2-enoxy-1-prop-1-enylcyclohexane
SMILESC=CCOC1(C=CC)CCCCC1
InChIInChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4,8H,2,5-7,9-11H2,1H3
InChIKeyGUKATFBNEPXVTI-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
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

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CID 20268659
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-Ethoxy-p-menth-2-ene
CID 92004572
(7S)-3,7-dimethyl-7-[(1S)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996031
(7R)-3,7-dimethyl-7-[(1R)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996033
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
1-Oxaspiro[4.5]dec-3-ene
CID 642943
1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-1-prop-1-enylcyclohexane?
The IUPAC name of 1-prop-2-enoxy-1-prop-1-enylcyclohexane (CID 139894346) is 1-prop-2-enoxy-1-prop-1-enylcyclohexane.
What is the SMILES notation for 1-prop-2-enoxy-1-prop-1-enylcyclohexane?
The canonical SMILES for 1-prop-2-enoxy-1-prop-1-enylcyclohexane is C=CCOC1(C=CC)CCCCC1.
What is the InChIKey of 1-prop-2-enoxy-1-prop-1-enylcyclohexane?
The InChIKey is GUKATFBNEPXVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4,8H,2,5-7,9-11H2,1H3.
What are the key properties of 1-prop-2-enoxy-1-prop-1-enylcyclohexane?
1-prop-2-enoxy-1-prop-1-enylcyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-1-prop-1-enylcyclohexane is sourced from PubChem (CID 139894346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).