(1S)-1-(methoxymethyl)-3-methylidenecyclopentane

C8H14O — CID 89419270

IUPAC(1S)-1-(methoxymethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@H](COC)C1
InChIInChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyMXXVAOVXFVGTQJ-QMMMGPOBSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About (1S)-1-(methoxymethyl)-3-methylidenecyclopentane

(1S)-1-(methoxymethyl)-3-methylidenecyclopentane (PubChem CID 89419270) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S)-1-(methoxymethyl)-3-methylidenecyclopentane.

Molecular Properties

Compound Name(1S)-1-(methoxymethyl)-3-methylidenecyclopentane
PubChem CID89419270
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S)-1-(methoxymethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@H](COC)C1
InChIInChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyMXXVAOVXFVGTQJ-QMMMGPOBSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-(methoxymethyl)-3-methylidenecyclopentane 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 (1S)-1-(methoxymethyl)-3-methylidenecyclopentane?
The IUPAC name of (1S)-1-(methoxymethyl)-3-methylidenecyclopentane (CID 89419270) is (1S)-1-(methoxymethyl)-3-methylidenecyclopentane.
What is the SMILES notation for (1S)-1-(methoxymethyl)-3-methylidenecyclopentane?
The canonical SMILES for (1S)-1-(methoxymethyl)-3-methylidenecyclopentane is C=C1CC[C@H](COC)C1.
What is the InChIKey of (1S)-1-(methoxymethyl)-3-methylidenecyclopentane?
The InChIKey is MXXVAOVXFVGTQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-7-3-4-8(5-7)6-9-2/h8H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(methoxymethyl)-3-methylidenecyclopentane?
(1S)-1-(methoxymethyl)-3-methylidenecyclopentane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(methoxymethyl)-3-methylidenecyclopentane is sourced from PubChem (CID 89419270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).