1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane

C14H26O — CID 101411636

IUPAC1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane
SMILESC=C1CCCC1CCCCOC(C)(C)C
InChIInChI=1S/C14H26O/c1-12-8-7-10-13(12)9-5-6-11-15-14(2,3)4/h13H,1,5-11H2,2-4H3
InChIKeyBCJHEIOWKPSBIE-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds5

About 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane

1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane (PubChem CID 101411636) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane.

Molecular Properties

Compound Name1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane
PubChem CID101411636
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane
SMILESC=C1CCCC1CCCCOC(C)(C)C
InChIInChI=1S/C14H26O/c1-12-8-7-10-13(12)9-5-6-11-15-14(2,3)4/h13H,1,5-11H2,2-4H3
InChIKeyBCJHEIOWKPSBIE-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane?
The IUPAC name of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane (CID 101411636) is 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane.
What is the SMILES notation for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane?
The canonical SMILES for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane is C=C1CCCC1CCCCOC(C)(C)C.
What is the InChIKey of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane?
The InChIKey is BCJHEIOWKPSBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12-8-7-10-13(12)9-5-6-11-15-14(2,3)4/h13H,1,5-11H2,2-4H3.
What are the key properties of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane?
1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane is sourced from PubChem (CID 101411636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).