6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene

C18H34 — CID 91538914

IUPAC6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene
SMILESC=CC(C(C)=CCCC)C(CC)C(C)CCCC
InChIInChI=1S/C18H34/c1-7-11-13-15(5)17(9-3)18(10-4)16(6)14-12-8-2/h9,13,16-18H,3,7-8,10-12,14H2,1-2,4-6H3
InChIKeyCEGVASNPNLUIOU-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.39
Rot. Bonds10

About 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene

6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene (PubChem CID 91538914) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene.

Molecular Properties

Compound Name6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene
PubChem CID91538914
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene
SMILESC=CC(C(C)=CCCC)C(CC)C(C)CCCC
InChIInChI=1S/C18H34/c1-7-11-13-15(5)17(9-3)18(10-4)16(6)14-12-8-2/h9,13,16-18H,3,7-8,10-12,14H2,1-2,4-6H3
InChIKeyCEGVASNPNLUIOU-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.39
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

5-methyl-6-propan-2-yldec-1-ene
CID 90885410
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CID 130574470
(E)-3-methylhept-3-en-2-amine
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3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
7,8-dimethyltridec-6-ene
CID 123214902
2-propan-2-yloxyhex-2-ene
CID 123193761
acetylene;3-methylhept-1-ene;propane
CID 144520771
2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
CID 169426930
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
10-methyl-6,11-di(propan-2-yl)pentadec-6-ene
CID 123189565
3-ethylhept-1-ene
CID 12923943
2,3,4-trimethyldeca-1,4-diene
CID 123573024

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene?
The IUPAC name of 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene (CID 91538914) is 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene.
What is the SMILES notation for 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene?
The canonical SMILES for 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene is C=CC(C(C)=CCCC)C(CC)C(C)CCCC.
What is the InChIKey of 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene?
The InChIKey is CEGVASNPNLUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-11-13-15(5)17(9-3)18(10-4)16(6)14-12-8-2/h9,13,16-18H,3,7-8,10-12,14H2,1-2,4-6H3.
What are the key properties of 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene?
6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene has a molecular weight of 250.47 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-ethyl-5,8-dimethyldodec-4-ene is sourced from PubChem (CID 91538914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).