(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene

C22H44 — CID 14195732

IUPAC(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene
SMILESCCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CCC
InChIInChI=1S/C22H44/c1-8-12-13-14-18-22(16-10-3,17-11-4)20(15-9-2)19-21(5,6)7/h19H,8-18H2,1-7H3/b20-19+
InChIKeyJVPJKFFAELTIJM-FMQUCBEESA-N
MW308.59 g/mol
LogP8.32
Rot. Bonds12

About (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene

(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene (PubChem CID 14195732) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene.

Molecular Properties

Compound Name(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene
PubChem CID14195732
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene
SMILESCCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CCC
InChIInChI=1S/C22H44/c1-8-12-13-14-18-22(16-10-3,17-11-4)20(15-9-2)19-21(5,6)7/h19H,8-18H2,1-7H3/b20-19+
InChIKeyJVPJKFFAELTIJM-FMQUCBEESA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.32
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

Beta-Carotene
CID 5280489
Elemene
CID 12309449
Torulene
CID 5281253
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
alpha-Camphorene
CID 101750
Axerophthene
CID 5287722
gamma-Carotene
CID 5280791
9-Cis-Beta-Carotene
CID 9828626
Trichodiene
CID 114857
(-)-Cembrene A
CID 5281384
(13Z)-beta-Carotene
CID 10256668
Daucene
CID 177773

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene?
The IUPAC name of (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene (CID 14195732) is (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene.
What is the SMILES notation for (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene?
The canonical SMILES for (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene is CCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CCC.
What is the InChIKey of (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene?
The InChIKey is JVPJKFFAELTIJM-FMQUCBEESA-N. The full InChI is InChI=1S/C22H44/c1-8-12-13-14-18-22(16-10-3,17-11-4)20(15-9-2)19-21(5,6)7/h19H,8-18H2,1-7H3/b20-19+.
What are the key properties of (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene?
(E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene has a molecular weight of 308.59 g/mol, XLogP of 8.32, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-4,5,5-tripropylundec-3-ene is sourced from PubChem (CID 14195732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).