(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene

C12H15Cl — CID 21351129

IUPAC(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1\CCCC(/C=C/C)=C1Cl
InChIInChI=1S/C12H15Cl/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,6-7H,1,5,8-9H2,2H3/b7-4+,10-6+
InChIKeyFNYNEGBTLBYYES-ONAMFVEZSA-N
MW194.70 g/mol
LogP4.35
Rot. Bonds2

About (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene

(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene (PubChem CID 21351129) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Name(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
PubChem CID21351129
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1\CCCC(/C=C/C)=C1Cl
InChIInChI=1S/C12H15Cl/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,6-7H,1,5,8-9H2,2H3/b7-4+,10-6+
InChIKeyFNYNEGBTLBYYES-ONAMFVEZSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The IUPAC name of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene (CID 21351129) is (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene.
What is the SMILES notation for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The canonical SMILES for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene is C=C/C=C1\CCCC(/C=C/C)=C1Cl.
What is the InChIKey of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
The InChIKey is FNYNEGBTLBYYES-ONAMFVEZSA-N. The full InChI is InChI=1S/C12H15Cl/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,6-7H,1,5,8-9H2,2H3/b7-4+,10-6+.
What are the key properties of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene?
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene has a molecular weight of 194.70 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene is sourced from PubChem (CID 21351129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).