3-ethyl-2,7-dimethyloct-1-ene

C12H24 — CID 123570593

IUPAC3-ethyl-2,7-dimethyloct-1-ene
SMILESC=C(C)C(CC)CCCC(C)C
InChIInChI=1S/C12H24/c1-6-12(11(4)5)9-7-8-10(2)3/h10,12H,4,6-9H2,1-3,5H3
InChIKeyNUPIFKLSIKIIOU-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds6

About 3-ethyl-2,7-dimethyloct-1-ene

3-ethyl-2,7-dimethyloct-1-ene (PubChem CID 123570593) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-ethyl-2,7-dimethyloct-1-ene.

Molecular Properties

Compound Name3-ethyl-2,7-dimethyloct-1-ene
PubChem CID123570593
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-ethyl-2,7-dimethyloct-1-ene
SMILESC=C(C)C(CC)CCCC(C)C
InChIInChI=1S/C12H24/c1-6-12(11(4)5)9-7-8-10(2)3/h10,12H,4,6-9H2,1-3,5H3
InChIKeyNUPIFKLSIKIIOU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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

3-ethyl-2-methyldodec-1-ene
CID 174845873
2,3,7-trimethyloct-1-ene
CID 123245102
4-ethyl-8-methylnonan-3-one
CID 141074737
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
(4S)-4-ethyl-2,9-dimethyldecan-3-one
CID 164954852
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
2,2-dimethylbutane;2,6-dimethylhept-1-ene;methanethioic S-acid
CID 143571588
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,7-dimethyloct-1-ene?
The IUPAC name of 3-ethyl-2,7-dimethyloct-1-ene (CID 123570593) is 3-ethyl-2,7-dimethyloct-1-ene.
What is the SMILES notation for 3-ethyl-2,7-dimethyloct-1-ene?
The canonical SMILES for 3-ethyl-2,7-dimethyloct-1-ene is C=C(C)C(CC)CCCC(C)C.
What is the InChIKey of 3-ethyl-2,7-dimethyloct-1-ene?
The InChIKey is NUPIFKLSIKIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-12(11(4)5)9-7-8-10(2)3/h10,12H,4,6-9H2,1-3,5H3.
What are the key properties of 3-ethyl-2,7-dimethyloct-1-ene?
3-ethyl-2,7-dimethyloct-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,7-dimethyloct-1-ene is sourced from PubChem (CID 123570593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).