2,4,4,6,6,8,8-heptamethylundec-1-ene

C18H36 — CID 140893403

IUPAC2,4,4,6,6,8,8-heptamethylundec-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C18H36/c1-10-11-16(4,5)13-18(8,9)14-17(6,7)12-15(2)3/h2,10-14H2,1,3-9H3
InChIKeyHFQMUUUINLRCKO-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.61
Rot. Bonds8

About 2,4,4,6,6,8,8-heptamethylundec-1-ene

2,4,4,6,6,8,8-heptamethylundec-1-ene (PubChem CID 140893403) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,4,4,6,6,8,8-heptamethylundec-1-ene.

Molecular Properties

Compound Name2,4,4,6,6,8,8-heptamethylundec-1-ene
PubChem CID140893403
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,4,4,6,6,8,8-heptamethylundec-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C18H36/c1-10-11-16(4,5)13-18(8,9)14-17(6,7)12-15(2)3/h2,10-14H2,1,3-9H3
InChIKeyHFQMUUUINLRCKO-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
2,4-dimethylhept-1-en-4-amine
CID 152808962
(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
CID 154603547
2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
CID 90836053
4-ethyl-2-methyl-4-propylhept-1-ene
CID 123745566
propane;2,4,4-trimethylpent-1-ene
CID 145388380
ethane;2,2,4,4-tetramethylheptane
CID 143291913
N,3,3,5-tetramethylhex-5-en-1-amine
CID 81023086
3,5,5-trimethyloctan-3-ol
CID 123781250
4,4,6-trimethylhept-6-enenitrile
CID 163774167
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8-heptamethylundec-1-ene?
The IUPAC name of 2,4,4,6,6,8,8-heptamethylundec-1-ene (CID 140893403) is 2,4,4,6,6,8,8-heptamethylundec-1-ene.
What is the SMILES notation for 2,4,4,6,6,8,8-heptamethylundec-1-ene?
The canonical SMILES for 2,4,4,6,6,8,8-heptamethylundec-1-ene is C=C(C)CC(C)(C)CC(C)(C)CC(C)(C)CCC.
What is the InChIKey of 2,4,4,6,6,8,8-heptamethylundec-1-ene?
The InChIKey is HFQMUUUINLRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-10-11-16(4,5)13-18(8,9)14-17(6,7)12-15(2)3/h2,10-14H2,1,3-9H3.
What are the key properties of 2,4,4,6,6,8,8-heptamethylundec-1-ene?
2,4,4,6,6,8,8-heptamethylundec-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8,8-heptamethylundec-1-ene is sourced from PubChem (CID 140893403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).