1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene

C21H32 — CID 57290836

IUPAC1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene
SMILESCC#CCCC=C(C)CCC=CCCC1=C(C)CCC1C
InChIInChI=1S/C21H32/c1-5-6-7-10-13-18(2)14-11-8-9-12-15-21-19(3)16-17-20(21)4/h8-9,13,19H,7,10-12,14-17H2,1-4H3
InChIKeyAFQLBYJABLXFJW-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.60
Rot. Bonds8

About 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene

1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene (PubChem CID 57290836) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene.

Molecular Properties

Compound Name1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene
PubChem CID57290836
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene
SMILESCC#CCCC=C(C)CCC=CCCC1=C(C)CCC1C
InChIInChI=1S/C21H32/c1-5-6-7-10-13-18(2)14-11-8-9-12-15-21-19(3)16-17-20(21)4/h8-9,13,19H,7,10-12,14-17H2,1-4H3
InChIKeyAFQLBYJABLXFJW-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.60
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene?
The IUPAC name of 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene (CID 57290836) is 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene.
What is the SMILES notation for 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene?
The canonical SMILES for 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene is CC#CCCC=C(C)CCC=CCCC1=C(C)CCC1C.
What is the InChIKey of 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene?
The InChIKey is AFQLBYJABLXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-5-6-7-10-13-18(2)14-11-8-9-12-15-21-19(3)16-17-20(21)4/h8-9,13,19H,7,10-12,14-17H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene?
1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene has a molecular weight of 284.49 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(7-methyltrideca-3,7-dien-11-ynyl)cyclopentene is sourced from PubChem (CID 57290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).