4-methylidene-1,1-di(propan-2-yl)cyclohexane

C13H24 — CID 21068519

IUPAC4-methylidene-1,1-di(propan-2-yl)cyclohexane
SMILESC=C1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C13H24/c1-10(2)13(11(3)4)8-6-12(5)7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyYRUVAXBIWCISAP-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds2

About 4-methylidene-1,1-di(propan-2-yl)cyclohexane

4-methylidene-1,1-di(propan-2-yl)cyclohexane (PubChem CID 21068519) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 4-methylidene-1,1-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name4-methylidene-1,1-di(propan-2-yl)cyclohexane
PubChem CID21068519
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name4-methylidene-1,1-di(propan-2-yl)cyclohexane
SMILESC=C1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C13H24/c1-10(2)13(11(3)4)8-6-12(5)7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyYRUVAXBIWCISAP-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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-di(propan-2-yl)cyclohexane?
The IUPAC name of 4-methylidene-1,1-di(propan-2-yl)cyclohexane (CID 21068519) is 4-methylidene-1,1-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 4-methylidene-1,1-di(propan-2-yl)cyclohexane?
The canonical SMILES for 4-methylidene-1,1-di(propan-2-yl)cyclohexane is C=C1CCC(C(C)C)(C(C)C)CC1.
What is the InChIKey of 4-methylidene-1,1-di(propan-2-yl)cyclohexane?
The InChIKey is YRUVAXBIWCISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)13(11(3)4)8-6-12(5)7-9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-methylidene-1,1-di(propan-2-yl)cyclohexane?
4-methylidene-1,1-di(propan-2-yl)cyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,1-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 21068519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).