7,7,10-trimethylundec-1-ene

C14H28 — CID 173422023

IUPAC7,7,10-trimethylundec-1-ene
SMILESC=CCCCCC(C)(C)CCC(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-11-14(4,5)12-10-13(2)3/h6,13H,1,7-12H2,2-5H3
InChIKeyGWAGGSHNRCXGOH-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds8

About 7,7,10-trimethylundec-1-ene

7,7,10-trimethylundec-1-ene (PubChem CID 173422023) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 7,7,10-trimethylundec-1-ene.

Molecular Properties

Compound Name7,7,10-trimethylundec-1-ene
PubChem CID173422023
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name7,7,10-trimethylundec-1-ene
SMILESC=CCCCCC(C)(C)CCC(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-11-14(4,5)12-10-13(2)3/h6,13H,1,7-12H2,2-5H3
InChIKeyGWAGGSHNRCXGOH-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

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Frequently Asked Questions

What is the IUPAC name of 7,7,10-trimethylundec-1-ene?
The IUPAC name of 7,7,10-trimethylundec-1-ene (CID 173422023) is 7,7,10-trimethylundec-1-ene.
What is the SMILES notation for 7,7,10-trimethylundec-1-ene?
The canonical SMILES for 7,7,10-trimethylundec-1-ene is C=CCCCCC(C)(C)CCC(C)C.
What is the InChIKey of 7,7,10-trimethylundec-1-ene?
The InChIKey is GWAGGSHNRCXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-7-8-9-11-14(4,5)12-10-13(2)3/h6,13H,1,7-12H2,2-5H3.
What are the key properties of 7,7,10-trimethylundec-1-ene?
7,7,10-trimethylundec-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,10-trimethylundec-1-ene is sourced from PubChem (CID 173422023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).