5,5,6-trimethylhept-1-ene

C10H20 — CID 22483746

IUPAC5,5,6-trimethylhept-1-ene
SMILESC=CCCC(C)(C)C(C)C
InChIInChI=1S/C10H20/c1-6-7-8-10(4,5)9(2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyPDDZRMMIMNABGD-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds4

About 5,5,6-trimethylhept-1-ene

5,5,6-trimethylhept-1-ene (PubChem CID 22483746) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 5,5,6-trimethylhept-1-ene.

Molecular Properties

Compound Name5,5,6-trimethylhept-1-ene
PubChem CID22483746
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name5,5,6-trimethylhept-1-ene
SMILESC=CCCC(C)(C)C(C)C
InChIInChI=1S/C10H20/c1-6-7-8-10(4,5)9(2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyPDDZRMMIMNABGD-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
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 5,5,6-trimethylhept-1-ene?
The IUPAC name of 5,5,6-trimethylhept-1-ene (CID 22483746) is 5,5,6-trimethylhept-1-ene.
What is the SMILES notation for 5,5,6-trimethylhept-1-ene?
The canonical SMILES for 5,5,6-trimethylhept-1-ene is C=CCCC(C)(C)C(C)C.
What is the InChIKey of 5,5,6-trimethylhept-1-ene?
The InChIKey is PDDZRMMIMNABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-7-8-10(4,5)9(2)3/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 5,5,6-trimethylhept-1-ene?
5,5,6-trimethylhept-1-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethylhept-1-ene is sourced from PubChem (CID 22483746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).