(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone

C16H24O2 — CID 174317296

IUPAC(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone
SMILESC=C1C(C)CCC1(C)C(=O)C1=CCCC1COC
InChIInChI=1S/C16H24O2/c1-11-8-9-16(3,12(11)2)15(17)14-7-5-6-13(14)10-18-4/h7,11,13H,2,5-6,8-10H2,1,3-4H3
InChIKeyBPNSOKXGDOAFQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.53
Rot. Bonds4

About (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone

(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone (PubChem CID 174317296) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone
PubChem CID174317296
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone
SMILESC=C1C(C)CCC1(C)C(=O)C1=CCCC1COC
InChIInChI=1S/C16H24O2/c1-11-8-9-16(3,12(11)2)15(17)14-7-5-6-13(14)10-18-4/h7,11,13H,2,5-6,8-10H2,1,3-4H3
InChIKeyBPNSOKXGDOAFQN-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone?
The IUPAC name of (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone (CID 174317296) is (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone.
What is the SMILES notation for (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone?
The canonical SMILES for (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone is C=C1C(C)CCC1(C)C(=O)C1=CCCC1COC.
What is the InChIKey of (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone?
The InChIKey is BPNSOKXGDOAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-8-9-16(3,12(11)2)15(17)14-7-5-6-13(14)10-18-4/h7,11,13H,2,5-6,8-10H2,1,3-4H3.
What are the key properties of (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone?
(1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone has a molecular weight of 248.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-methylidenecyclopentyl)-[5-(methoxymethyl)cyclopenten-1-yl]methanone is sourced from PubChem (CID 174317296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).