6-pentyldodec-6-ene

C17H34 — CID 134903205

IUPAC6-pentyldodec-6-ene
SMILESCCCCCC=C(CCCCC)CCCCC
InChIInChI=1S/C17H34/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3
InChIKeyBVOFZBNFTXSYTQ-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.65
Rot. Bonds12

About 6-pentyldodec-6-ene

6-pentyldodec-6-ene (PubChem CID 134903205) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 6-pentyldodec-6-ene.

Molecular Properties

Compound Name6-pentyldodec-6-ene
PubChem CID134903205
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name6-pentyldodec-6-ene
SMILESCCCCCC=C(CCCCC)CCCCC
InChIInChI=1S/C17H34/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3
InChIKeyBVOFZBNFTXSYTQ-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.65
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

Terpinolene
CID 11463
Squalene
CID 638072
(Z)-9-Tricosene
CID 5365075
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
(-)-Cembrene A
CID 5281384
1-Ethylcyclohexene
CID 73937
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
Octadec-9-ene
CID 5364599

Frequently Asked Questions

What is the IUPAC name of 6-pentyldodec-6-ene?
The IUPAC name of 6-pentyldodec-6-ene (CID 134903205) is 6-pentyldodec-6-ene.
What is the SMILES notation for 6-pentyldodec-6-ene?
The canonical SMILES for 6-pentyldodec-6-ene is CCCCCC=C(CCCCC)CCCCC.
What is the InChIKey of 6-pentyldodec-6-ene?
The InChIKey is BVOFZBNFTXSYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-7-10-13-16-17(14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3.
What are the key properties of 6-pentyldodec-6-ene?
6-pentyldodec-6-ene has a molecular weight of 238.46 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyldodec-6-ene is sourced from PubChem (CID 134903205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).