(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one

C20H20O — CID 23187438

IUPAC(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one
SMILESO=C1/C(=C\c2ccccc2)CCCC1Cc1ccccc1
InChIInChI=1S/C20H20O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14,19H,7,12-13,15H2/b18-14-
InChIKeyZJGYMXSHWWUQJV-JXAWBTAJSA-N
MW276.38 g/mol
LogP4.68
Rot. Bonds3

About (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one

(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one (PubChem CID 23187438) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one.

Molecular Properties

Compound Name(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one
PubChem CID23187438
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one
SMILESO=C1/C(=C\c2ccccc2)CCCC1Cc1ccccc1
InChIInChI=1S/C20H20O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14,19H,7,12-13,15H2/b18-14-
InChIKeyZJGYMXSHWWUQJV-JXAWBTAJSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one?
The IUPAC name of (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one (CID 23187438) is (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one.
What is the SMILES notation for (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one?
The canonical SMILES for (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one is O=C1/C(=C\c2ccccc2)CCCC1Cc1ccccc1.
What is the InChIKey of (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one?
The InChIKey is ZJGYMXSHWWUQJV-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H20O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14,19H,7,12-13,15H2/b18-14-.
What are the key properties of (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one?
(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-benzyl-6-benzylidenecyclohexan-1-one is sourced from PubChem (CID 23187438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).