[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane

C22H40 — CID 142893719

IUPAC[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane
SMILESCCCC/C=C\CC(C(=C(C)C)C(C)CCC)C1CCCC1
InChIInChI=1S/C22H40/c1-6-8-9-10-11-17-21(20-15-12-13-16-20)22(18(3)4)19(5)14-7-2/h10-11,19-21H,6-9,12-17H2,1-5H3/b11-10-
InChIKeyDHBLJVRZANJKFK-KHPPLWFESA-N
MW304.56 g/mol
LogP7.70
Rot. Bonds10

About [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane

[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane (PubChem CID 142893719) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane.

Molecular Properties

Compound Name[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane
PubChem CID142893719
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane
SMILESCCCC/C=C\CC(C(=C(C)C)C(C)CCC)C1CCCC1
InChIInChI=1S/C22H40/c1-6-8-9-10-11-17-21(20-15-12-13-16-20)22(18(3)4)19(5)14-7-2/h10-11,19-21H,6-9,12-17H2,1-5H3/b11-10-
InChIKeyDHBLJVRZANJKFK-KHPPLWFESA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-non-4-en-2-ol
CID 131232400
8-methyltridec-5-ene
CID 123857568
(E)-8-chloroundec-5-ene
CID 130305861
butane;pentan-2-ylcyclohexane
CID 143682251
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
(7Z)-hexadeca-7,11-dien-5-ol
CID 87164825
(Z)-tridec-8-en-6-ol
CID 170849340
2-methyldodeca-4,7-diene
CID 123659021
(E)-dec-5-en-3-ol
CID 21493231
1-cyclopropylpentylcycloheptane
CID 91177068
(E)-2-propan-2-ylnon-4-enoate
CID 90471183
2-cyclopentyltridecanoic acid
CID 22665117

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane?
The IUPAC name of [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane (CID 142893719) is [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane.
What is the SMILES notation for [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane?
The canonical SMILES for [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane is CCCC/C=C\CC(C(=C(C)C)C(C)CCC)C1CCCC1.
What is the InChIKey of [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane?
The InChIKey is DHBLJVRZANJKFK-KHPPLWFESA-N. The full InChI is InChI=1S/C22H40/c1-6-8-9-10-11-17-21(20-15-12-13-16-20)22(18(3)4)19(5)14-7-2/h10-11,19-21H,6-9,12-17H2,1-5H3/b11-10-.
What are the key properties of [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane?
[(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane has a molecular weight of 304.56 g/mol, XLogP of 7.70, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methyl-5-propan-2-ylidenetridec-8-en-6-yl]cyclopentane is sourced from PubChem (CID 142893719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).