2,3,7-trimethyloct-1-ene

C11H22 — CID 123245102

IUPAC2,3,7-trimethyloct-1-ene
SMILESC=C(C)C(C)CCCC(C)C
InChIInChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3
InChIKeyZFNHOKSPQOAPOQ-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds5

About 2,3,7-trimethyloct-1-ene

2,3,7-trimethyloct-1-ene (PubChem CID 123245102) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,3,7-trimethyloct-1-ene.

Molecular Properties

Compound Name2,3,7-trimethyloct-1-ene
PubChem CID123245102
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,3,7-trimethyloct-1-ene
SMILESC=C(C)C(C)CCCC(C)C
InChIInChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3
InChIKeyZFNHOKSPQOAPOQ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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

2,3,8-trimethylnona-1,8-diene
CID 155711646
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
3,4-dimethylpent-4-en-1-ol
CID 14417455
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2,6-dimethylheptanethioamide
CID 54021693
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
10-methylundecane-2,6-diol
CID 88681561
2,6-dimethylhept-1-en-3-ol
CID 13208265
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(4R)-2,2,4,8-tetramethylnonane-3-thione
CID 153306665

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyloct-1-ene?
The IUPAC name of 2,3,7-trimethyloct-1-ene (CID 123245102) is 2,3,7-trimethyloct-1-ene.
What is the SMILES notation for 2,3,7-trimethyloct-1-ene?
The canonical SMILES for 2,3,7-trimethyloct-1-ene is C=C(C)C(C)CCCC(C)C.
What is the InChIKey of 2,3,7-trimethyloct-1-ene?
The InChIKey is ZFNHOKSPQOAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3.
What are the key properties of 2,3,7-trimethyloct-1-ene?
2,3,7-trimethyloct-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyloct-1-ene is sourced from PubChem (CID 123245102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).