(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one

C18H18O — CID 177495659

IUPAC(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
SMILESO=C1/C(=C\C2=CC=CC2)CCC/C1=C\C1=CC=CC1
InChIInChI=1S/C18H18O/c19-18-16(12-14-6-1-2-7-14)10-5-11-17(18)13-15-8-3-4-9-15/h1-4,6,8,12-13H,5,7,9-11H2/b16-12-,17-13+
InChIKeyBPPBIXDAVUBJBJ-RFTYBOQRSA-N
MW250.34 g/mol
LogP4.36
Rot. Bonds2

About (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one

(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one (PubChem CID 177495659) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
PubChem CID177495659
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
SMILESO=C1/C(=C\C2=CC=CC2)CCC/C1=C\C1=CC=CC1
InChIInChI=1S/C18H18O/c19-18-16(12-14-6-1-2-7-14)10-5-11-17(18)13-15-8-3-4-9-15/h1-4,6,8,12-13H,5,7,9-11H2/b16-12-,17-13+
InChIKeyBPPBIXDAVUBJBJ-RFTYBOQRSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 5183366
(6E)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
CID 6991055
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
2,6-bis[[4-(diethylamino)phenyl]methylidene]cyclohexan-1-one
CID 3385046
2,6-bis[(5-methylthiophen-2-yl)methylidene]cyclohexan-1-one
CID 4642139
2,6-bis[(4-hexoxyphenyl)methylidene]cyclohexan-1-one
CID 69497980
(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one
CID 46886187
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(6E)-2,6-bis[[4-(diethoxymethyl)phenyl]methylidene]cyclohexan-1-one
CID 155664368
(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
CID 122452595
1-[(E)-cyclopent-2-en-1-ylidenemethyl]cyclopenta-1,3-diene
CID 177466863
2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
CID 15842643

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one?
The IUPAC name of (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one (CID 177495659) is (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one.
What is the SMILES notation for (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one?
The canonical SMILES for (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one is O=C1/C(=C\C2=CC=CC2)CCC/C1=C\C1=CC=CC1.
What is the InChIKey of (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one?
The InChIKey is BPPBIXDAVUBJBJ-RFTYBOQRSA-N. The full InChI is InChI=1S/C18H18O/c19-18-16(12-14-6-1-2-7-14)10-5-11-17(18)13-15-8-3-4-9-15/h1-4,6,8,12-13H,5,7,9-11H2/b16-12-,17-13+.
What are the key properties of (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one?
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one is sourced from PubChem (CID 177495659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).