7,9-dimethyl-6-propyldodec-1-ene

C17H34 — CID 123995288

IUPAC7,9-dimethyl-6-propyldodec-1-ene
SMILESC=CCCCC(CCC)C(C)CC(C)CCC
InChIInChI=1S/C17H34/c1-6-9-10-13-17(12-8-3)16(5)14-15(4)11-7-2/h6,15-17H,1,7-14H2,2-5H3
InChIKeyHEHARTYZXAQYRZ-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.22
Rot. Bonds11

About 7,9-dimethyl-6-propyldodec-1-ene

7,9-dimethyl-6-propyldodec-1-ene (PubChem CID 123995288) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 7,9-dimethyl-6-propyldodec-1-ene.

Molecular Properties

Compound Name7,9-dimethyl-6-propyldodec-1-ene
PubChem CID123995288
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name7,9-dimethyl-6-propyldodec-1-ene
SMILESC=CCCCC(CCC)C(C)CC(C)CCC
InChIInChI=1S/C17H34/c1-6-9-10-13-17(12-8-3)16(5)14-15(4)11-7-2/h6,15-17H,1,7-14H2,2-5H3
InChIKeyHEHARTYZXAQYRZ-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.22
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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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-6-propyldodec-1-ene?
The IUPAC name of 7,9-dimethyl-6-propyldodec-1-ene (CID 123995288) is 7,9-dimethyl-6-propyldodec-1-ene.
What is the SMILES notation for 7,9-dimethyl-6-propyldodec-1-ene?
The canonical SMILES for 7,9-dimethyl-6-propyldodec-1-ene is C=CCCCC(CCC)C(C)CC(C)CCC.
What is the InChIKey of 7,9-dimethyl-6-propyldodec-1-ene?
The InChIKey is HEHARTYZXAQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-9-10-13-17(12-8-3)16(5)14-15(4)11-7-2/h6,15-17H,1,7-14H2,2-5H3.
What are the key properties of 7,9-dimethyl-6-propyldodec-1-ene?
7,9-dimethyl-6-propyldodec-1-ene has a molecular weight of 238.46 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-6-propyldodec-1-ene is sourced from PubChem (CID 123995288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).