2,5,5-trimethylhept-2-ene

C10H20 — CID 91380773

IUPAC2,5,5-trimethylhept-2-ene
SMILESCCC(C)(C)CC=C(C)C
InChIInChI=1S/C10H20/c1-6-10(4,5)8-7-9(2)3/h7H,6,8H2,1-5H3
InChIKeyROPXTQPSTNNEDW-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds3

About 2,5,5-trimethylhept-2-ene

2,5,5-trimethylhept-2-ene (PubChem CID 91380773) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 2,5,5-trimethylhept-2-ene.

Molecular Properties

Compound Name2,5,5-trimethylhept-2-ene
PubChem CID91380773
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name2,5,5-trimethylhept-2-ene
SMILESCCC(C)(C)CC=C(C)C
InChIInChI=1S/C10H20/c1-6-10(4,5)8-7-9(2)3/h7H,6,8H2,1-5H3
InChIKeyROPXTQPSTNNEDW-UHFFFAOYSA-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 2,5,5-trimethylhept-2-ene?
The IUPAC name of 2,5,5-trimethylhept-2-ene (CID 91380773) is 2,5,5-trimethylhept-2-ene.
What is the SMILES notation for 2,5,5-trimethylhept-2-ene?
The canonical SMILES for 2,5,5-trimethylhept-2-ene is CCC(C)(C)CC=C(C)C.
What is the InChIKey of 2,5,5-trimethylhept-2-ene?
The InChIKey is ROPXTQPSTNNEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-10(4,5)8-7-9(2)3/h7H,6,8H2,1-5H3.
What are the key properties of 2,5,5-trimethylhept-2-ene?
2,5,5-trimethylhept-2-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 2,5,5-trimethylhept-2-ene is sourced from PubChem (CID 91380773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).