(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene

C15H26O — CID 71052060

IUPAC(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene
SMILESCC/C(=C\C[C@@H]1CC=C(C)C1(C)C)COC
InChIInChI=1S/C15H26O/c1-6-13(11-16-5)8-10-14-9-7-12(2)15(14,3)4/h7-8,14H,6,9-11H2,1-5H3/b13-8+/t14-/m0/s1
InChIKeyNCKXFCRGOMTUCZ-CZAWJFPGSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds5

About (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene

(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene (PubChem CID 71052060) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene
PubChem CID71052060
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene
SMILESCC/C(=C\C[C@@H]1CC=C(C)C1(C)C)COC
InChIInChI=1S/C15H26O/c1-6-13(11-16-5)8-10-14-9-7-12(2)15(14,3)4/h7-8,14H,6,9-11H2,1-5H3/b13-8+/t14-/m0/s1
InChIKeyNCKXFCRGOMTUCZ-CZAWJFPGSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene 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 (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene?
The IUPAC name of (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene (CID 71052060) is (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene.
What is the SMILES notation for (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene?
The canonical SMILES for (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene is CC/C(=C\C[C@@H]1CC=C(C)C1(C)C)COC.
What is the InChIKey of (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene?
The InChIKey is NCKXFCRGOMTUCZ-CZAWJFPGSA-N. The full InChI is InChI=1S/C15H26O/c1-6-13(11-16-5)8-10-14-9-7-12(2)15(14,3)4/h7-8,14H,6,9-11H2,1-5H3/b13-8+/t14-/m0/s1.
What are the key properties of (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene?
(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene has a molecular weight of 222.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 71052060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).