(E)-2,6-dimethylhept-3-ene;methane

C10H22 — CID 158228697

IUPAC(E)-2,6-dimethylhept-3-ene;methane
SMILESC.CC(C)/C=C/CC(C)C
InChIInChI=1S/C9H18.CH4/c1-8(2)6-5-7-9(3)4;/h5-6,8-9H,7H2,1-4H3;1H4/b6-5+;
InChIKeyGECQITCZYPGQNF-IPZCTEOASA-N
MW142.29 g/mol
LogP3.88
Rot. Bonds3

About (E)-2,6-dimethylhept-3-ene;methane

(E)-2,6-dimethylhept-3-ene;methane (PubChem CID 158228697) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is (E)-2,6-dimethylhept-3-ene;methane.

Molecular Properties

Compound Name(E)-2,6-dimethylhept-3-ene;methane
PubChem CID158228697
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name(E)-2,6-dimethylhept-3-ene;methane
SMILESC.CC(C)/C=C/CC(C)C
InChIInChI=1S/C9H18.CH4/c1-8(2)6-5-7-9(3)4;/h5-6,8-9H,7H2,1-4H3;1H4/b6-5+;
InChIKeyGECQITCZYPGQNF-IPZCTEOASA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.88
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

(E)-2,6-dimethylhept-3-ene
CID 5364654
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
(Z)-6-fluoro-2-methylhept-3-ene
CID 163783522
(E,6S)-2,6,7-trimethyloct-3-ene
CID 161076844
4,8-dimethylnona-2,6-diene
CID 54128177
(E)-3,7-dimethyloct-5-en-2-ol
CID 138394974
(E)-N,6-dimethylhept-3-en-2-amine
CID 167073805
(E)-7,7-difluoro-2,6-dimethylhept-3-ene
CID 139440730
4,8-dimethylnon-5-en-2-one
CID 91493464
(E)-1-bromo-3,7-dimethyloct-4-ene
CID 13192474
(E)-2-amino-6-methylhept-4-en-1-ol
CID 55254356
(E)-4-methylpent-2-en-1-ol
CID 5362786

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethylhept-3-ene;methane?
The IUPAC name of (E)-2,6-dimethylhept-3-ene;methane (CID 158228697) is (E)-2,6-dimethylhept-3-ene;methane.
What is the SMILES notation for (E)-2,6-dimethylhept-3-ene;methane?
The canonical SMILES for (E)-2,6-dimethylhept-3-ene;methane is C.CC(C)/C=C/CC(C)C.
What is the InChIKey of (E)-2,6-dimethylhept-3-ene;methane?
The InChIKey is GECQITCZYPGQNF-IPZCTEOASA-N. The full InChI is InChI=1S/C9H18.CH4/c1-8(2)6-5-7-9(3)4;/h5-6,8-9H,7H2,1-4H3;1H4/b6-5+;.
What are the key properties of (E)-2,6-dimethylhept-3-ene;methane?
(E)-2,6-dimethylhept-3-ene;methane has a molecular weight of 142.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethylhept-3-ene;methane is sourced from PubChem (CID 158228697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).