1-pentylcyclododecene

C17H32 — CID 150654776

IUPAC1-pentylcyclododecene
SMILESCCCCCC1=CCCCCCCCCCC1
InChIInChI=1S/C17H32/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-17/h15H,2-14,16H2,1H3
InChIKeyJCPWADHKDSYKFP-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.41
Rot. Bonds4

About 1-pentylcyclododecene

1-pentylcyclododecene (PubChem CID 150654776) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-pentylcyclododecene.

Molecular Properties

Compound Name1-pentylcyclododecene
PubChem CID150654776
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-pentylcyclododecene
SMILESCCCCCC1=CCCCCCCCCCC1
InChIInChI=1S/C17H32/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-17/h15H,2-14,16H2,1H3
InChIKeyJCPWADHKDSYKFP-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.41
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

1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
1-octylcyclohexene
CID 519088
1-butylcyclononene
CID 56981158
1-octadec-9-enylcyclohexene
CID 123690376
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-(5-methyltridecyl)cyclopentene
CID 142058433
1-hexylcyclobutene
CID 86205685
1-hex-5-enylcyclohexene
CID 123683483
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004

Frequently Asked Questions

What is the IUPAC name of 1-pentylcyclododecene?
The IUPAC name of 1-pentylcyclododecene (CID 150654776) is 1-pentylcyclododecene.
What is the SMILES notation for 1-pentylcyclododecene?
The canonical SMILES for 1-pentylcyclododecene is CCCCCC1=CCCCCCCCCCC1.
What is the InChIKey of 1-pentylcyclododecene?
The InChIKey is JCPWADHKDSYKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-17/h15H,2-14,16H2,1H3.
What are the key properties of 1-pentylcyclododecene?
1-pentylcyclododecene has a molecular weight of 236.44 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylcyclododecene is sourced from PubChem (CID 150654776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).