(E,5S)-3,5-dimethylhept-3-ene

C9H18 — CID 25021557

IUPAC(E,5S)-3,5-dimethylhept-3-ene
SMILESCC/C(C)=C/[C@@H](C)CC
InChIInChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3/b9-7+/t8-/m0/s1
InChIKeyOXOLZWHOQAEIAW-INTFFVIUSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds3

About (E,5S)-3,5-dimethylhept-3-ene

(E,5S)-3,5-dimethylhept-3-ene (PubChem CID 25021557) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E,5S)-3,5-dimethylhept-3-ene.

Molecular Properties

Compound Name(E,5S)-3,5-dimethylhept-3-ene
PubChem CID25021557
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E,5S)-3,5-dimethylhept-3-ene
SMILESCC/C(C)=C/[C@@H](C)CC
InChIInChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3/b9-7+/t8-/m0/s1
InChIKeyOXOLZWHOQAEIAW-INTFFVIUSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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

(E)-3,5-dimethyloct-3-ene
CID 169006712
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(4R)-2,4-dimethylhex-2-ene
CID 142611901
4,6-dimethyloct-4-enal
CID 71411187
(Z)-N,3,5-trimethylhept-4-en-1-amine
CID 167060991
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
CID 79340919
(2E,4Z)-2,4,6-trimethylocta-2,4-dien-1-ol
CID 101448778
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
(E)-3,5-dimethylhept-4-en-2-one
CID 87291087
(1-cyclohexyl-3-methylpent-1-enyl) acetate
CID 69272234
(E)-5-methoxy-3-methylhept-3-ene
CID 59875254
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591

Frequently Asked Questions

What is the IUPAC name of (E,5S)-3,5-dimethylhept-3-ene?
The IUPAC name of (E,5S)-3,5-dimethylhept-3-ene (CID 25021557) is (E,5S)-3,5-dimethylhept-3-ene.
What is the SMILES notation for (E,5S)-3,5-dimethylhept-3-ene?
The canonical SMILES for (E,5S)-3,5-dimethylhept-3-ene is CC/C(C)=C/[C@@H](C)CC.
What is the InChIKey of (E,5S)-3,5-dimethylhept-3-ene?
The InChIKey is OXOLZWHOQAEIAW-INTFFVIUSA-N. The full InChI is InChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3/b9-7+/t8-/m0/s1.
What are the key properties of (E,5S)-3,5-dimethylhept-3-ene?
(E,5S)-3,5-dimethylhept-3-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-3,5-dimethylhept-3-ene is sourced from PubChem (CID 25021557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).