(E)-3,5,5-trimethylhept-3-ene

C10H20 — CID 6436322

IUPAC(E)-3,5,5-trimethylhept-3-ene
SMILESCC/C(C)=C/C(C)(C)CC
InChIInChI=1S/C10H20/c1-6-9(3)8-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+
InChIKeyLREOTMWEDRBPMG-CMDGGOBGSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds3

About (E)-3,5,5-trimethylhept-3-ene

(E)-3,5,5-trimethylhept-3-ene (PubChem CID 6436322) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (E)-3,5,5-trimethylhept-3-ene.

Molecular Properties

Compound Name(E)-3,5,5-trimethylhept-3-ene
PubChem CID6436322
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(E)-3,5,5-trimethylhept-3-ene
SMILESCC/C(C)=C/C(C)(C)CC
InChIInChI=1S/C10H20/c1-6-9(3)8-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+
InChIKeyLREOTMWEDRBPMG-CMDGGOBGSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3,5,5-trimethylhept-3-ene?
The IUPAC name of (E)-3,5,5-trimethylhept-3-ene (CID 6436322) is (E)-3,5,5-trimethylhept-3-ene.
What is the SMILES notation for (E)-3,5,5-trimethylhept-3-ene?
The canonical SMILES for (E)-3,5,5-trimethylhept-3-ene is CC/C(C)=C/C(C)(C)CC.
What is the InChIKey of (E)-3,5,5-trimethylhept-3-ene?
The InChIKey is LREOTMWEDRBPMG-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20/c1-6-9(3)8-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-3,5,5-trimethylhept-3-ene?
(E)-3,5,5-trimethylhept-3-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5,5-trimethylhept-3-ene is sourced from PubChem (CID 6436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).