(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one

C16H26O — CID 122452595

IUPAC(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
SMILESCC(C)(C)/C=C1/CCC/C(=C/C(C)(C)C)C1=O
InChIInChI=1S/C16H26O/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h10-11H,7-9H2,1-6H3/b12-10-,13-11-
InChIKeyCMUQCDVANFYLGH-MIMPSMLTSA-N
MW234.38 g/mol
LogP4.68
Rot. Bonds

About (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one

(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one (PubChem CID 122452595) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
PubChem CID122452595
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
SMILESCC(C)(C)/C=C1/CCC/C(=C/C(C)(C)C)C1=O
InChIInChI=1S/C16H26O/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h10-11H,7-9H2,1-6H3/b12-10-,13-11-
InChIKeyCMUQCDVANFYLGH-MIMPSMLTSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one?
The IUPAC name of (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one (CID 122452595) is (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one?
The canonical SMILES for (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one is CC(C)(C)/C=C1/CCC/C(=C/C(C)(C)C)C1=O.
What is the InChIKey of (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one?
The InChIKey is CMUQCDVANFYLGH-MIMPSMLTSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h10-11H,7-9H2,1-6H3/b12-10-,13-11-.
What are the key properties of (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one?
(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one is sourced from PubChem (CID 122452595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).