4-methylidene-1,1-dipropylcyclohexane

C13H24 — CID 23396036

IUPAC4-methylidene-1,1-dipropylcyclohexane
SMILESC=C1CCC(CCC)(CCC)CC1
InChIInChI=1S/C13H24/c1-4-8-13(9-5-2)10-6-12(3)7-11-13/h3-11H2,1-2H3
InChIKeyBAJWEEWTCGRXMJ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds4

About 4-methylidene-1,1-dipropylcyclohexane

4-methylidene-1,1-dipropylcyclohexane (PubChem CID 23396036) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 4-methylidene-1,1-dipropylcyclohexane.

Molecular Properties

Compound Name4-methylidene-1,1-dipropylcyclohexane
PubChem CID23396036
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name4-methylidene-1,1-dipropylcyclohexane
SMILESC=C1CCC(CCC)(CCC)CC1
InChIInChI=1S/C13H24/c1-4-8-13(9-5-2)10-6-12(3)7-11-13/h3-11H2,1-2H3
InChIKeyBAJWEEWTCGRXMJ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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 4-methylidene-1,1-dipropylcyclohexane?
The IUPAC name of 4-methylidene-1,1-dipropylcyclohexane (CID 23396036) is 4-methylidene-1,1-dipropylcyclohexane.
What is the SMILES notation for 4-methylidene-1,1-dipropylcyclohexane?
The canonical SMILES for 4-methylidene-1,1-dipropylcyclohexane is C=C1CCC(CCC)(CCC)CC1.
What is the InChIKey of 4-methylidene-1,1-dipropylcyclohexane?
The InChIKey is BAJWEEWTCGRXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-8-13(9-5-2)10-6-12(3)7-11-13/h3-11H2,1-2H3.
What are the key properties of 4-methylidene-1,1-dipropylcyclohexane?
4-methylidene-1,1-dipropylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,1-dipropylcyclohexane is sourced from PubChem (CID 23396036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).