2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene

C18H36 — CID 169426930

IUPAC2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
SMILESCCC/C=C(/C)C(C)C.CCCCC(C)=C(C)C
InChIInChI=1S/2C9H18/c2*1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3;7-8H,5-6H2,1-4H3/b;9-7-
InChIKeyKWFIBESSDDBMGQ-QFWHIOIXSA-N
MW252.49 g/mol
LogP6.92
Rot. Bonds6

About 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene

2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene (PubChem CID 169426930) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene.

Molecular Properties

Compound Name2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
PubChem CID169426930
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
SMILESCCC/C=C(/C)C(C)C.CCCCC(C)=C(C)C
InChIInChI=1S/2C9H18/c2*1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3;7-8H,5-6H2,1-4H3/b;9-7-
InChIKeyKWFIBESSDDBMGQ-QFWHIOIXSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.92
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-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
2,3,4-trimethyloct-3-ene
CID 123315350
2,3-dimethyltridec-2-ene
CID 22376033
2-propan-2-yloxyhex-2-ene
CID 123193761
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
9,10-dimethylundec-9-en-5-one
CID 140691978
6,7-dimethyloct-5-enoic acid
CID 162716838
2,3,8-trimethyldec-3-ene
CID 123648225
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene?
The IUPAC name of 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene (CID 169426930) is 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene.
What is the SMILES notation for 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene?
The canonical SMILES for 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene is CCC/C=C(/C)C(C)C.CCCCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene?
The InChIKey is KWFIBESSDDBMGQ-QFWHIOIXSA-N. The full InChI is InChI=1S/2C9H18/c2*1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3;7-8H,5-6H2,1-4H3/b;9-7-.
What are the key properties of 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene?
2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene has a molecular weight of 252.49 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene is sourced from PubChem (CID 169426930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).