1-methoxy-1-propa-1,2-dienylcyclohexane

C10H16O — CID 71437950

IUPAC1-methoxy-1-propa-1,2-dienylcyclohexane
SMILESC=C=CC1(OC)CCCCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h7H,1,4-6,8-9H2,2H3
InChIKeyURIKQIWUCPWAGX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.68
Rot. Bonds2

About 1-methoxy-1-propa-1,2-dienylcyclohexane

1-methoxy-1-propa-1,2-dienylcyclohexane (PubChem CID 71437950) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxy-1-propa-1,2-dienylcyclohexane.

Molecular Properties

Compound Name1-methoxy-1-propa-1,2-dienylcyclohexane
PubChem CID71437950
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methoxy-1-propa-1,2-dienylcyclohexane
SMILESC=C=CC1(OC)CCCCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h7H,1,4-6,8-9H2,2H3
InChIKeyURIKQIWUCPWAGX-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-propa-1,2-dienylcyclohexane?
The IUPAC name of 1-methoxy-1-propa-1,2-dienylcyclohexane (CID 71437950) is 1-methoxy-1-propa-1,2-dienylcyclohexane.
What is the SMILES notation for 1-methoxy-1-propa-1,2-dienylcyclohexane?
The canonical SMILES for 1-methoxy-1-propa-1,2-dienylcyclohexane is C=C=CC1(OC)CCCCC1.
What is the InChIKey of 1-methoxy-1-propa-1,2-dienylcyclohexane?
The InChIKey is URIKQIWUCPWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h7H,1,4-6,8-9H2,2H3.
What are the key properties of 1-methoxy-1-propa-1,2-dienylcyclohexane?
1-methoxy-1-propa-1,2-dienylcyclohexane has a molecular weight of 152.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-propa-1,2-dienylcyclohexane is sourced from PubChem (CID 71437950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).