2-methyl-3-propan-2-ylhept-2-ene

C11H22 — CID 58083987

IUPAC2-methyl-3-propan-2-ylhept-2-ene
SMILESCCCCC(=C(C)C)C(C)C
InChIInChI=1S/C11H22/c1-6-7-8-11(9(2)3)10(4)5/h9H,6-8H2,1-5H3
InChIKeyBJZAVVIVQBZEDS-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds4

About 2-methyl-3-propan-2-ylhept-2-ene

2-methyl-3-propan-2-ylhept-2-ene (PubChem CID 58083987) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylhept-2-ene.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylhept-2-ene
PubChem CID58083987
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2-methyl-3-propan-2-ylhept-2-ene
SMILESCCCCC(=C(C)C)C(C)C
InChIInChI=1S/C11H22/c1-6-7-8-11(9(2)3)10(4)5/h9H,6-8H2,1-5H3
InChIKeyBJZAVVIVQBZEDS-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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-methyl-3-propan-2-ylhept-2-ene?
The IUPAC name of 2-methyl-3-propan-2-ylhept-2-ene (CID 58083987) is 2-methyl-3-propan-2-ylhept-2-ene.
What is the SMILES notation for 2-methyl-3-propan-2-ylhept-2-ene?
The canonical SMILES for 2-methyl-3-propan-2-ylhept-2-ene is CCCCC(=C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylhept-2-ene?
The InChIKey is BJZAVVIVQBZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-7-8-11(9(2)3)10(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-methyl-3-propan-2-ylhept-2-ene?
2-methyl-3-propan-2-ylhept-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylhept-2-ene is sourced from PubChem (CID 58083987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).