3-methylhex-2-enylidenecyclobutane

C11H18 — CID 123804515

IUPAC3-methylhex-2-enylidenecyclobutane
SMILESCCCC(C)=CC=C1CCC1
InChIInChI=1S/C11H18/c1-3-5-10(2)8-9-11-6-4-7-11/h8-9H,3-7H2,1-2H3
InChIKeyNWDNBNGQSYBBEV-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.84
Rot. Bonds3

About 3-methylhex-2-enylidenecyclobutane

3-methylhex-2-enylidenecyclobutane (PubChem CID 123804515) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3-methylhex-2-enylidenecyclobutane.

Molecular Properties

Compound Name3-methylhex-2-enylidenecyclobutane
PubChem CID123804515
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3-methylhex-2-enylidenecyclobutane
SMILESCCCC(C)=CC=C1CCC1
InChIInChI=1S/C11H18/c1-3-5-10(2)8-9-11-6-4-7-11/h8-9H,3-7H2,1-2H3
InChIKeyNWDNBNGQSYBBEV-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylhex-2-enylidenecyclobutane?
The IUPAC name of 3-methylhex-2-enylidenecyclobutane (CID 123804515) is 3-methylhex-2-enylidenecyclobutane.
What is the SMILES notation for 3-methylhex-2-enylidenecyclobutane?
The canonical SMILES for 3-methylhex-2-enylidenecyclobutane is CCCC(C)=CC=C1CCC1.
What is the InChIKey of 3-methylhex-2-enylidenecyclobutane?
The InChIKey is NWDNBNGQSYBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-5-10(2)8-9-11-6-4-7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methylhex-2-enylidenecyclobutane?
3-methylhex-2-enylidenecyclobutane has a molecular weight of 150.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhex-2-enylidenecyclobutane is sourced from PubChem (CID 123804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).