buta-1,3-dienoxymethylcyclopentane

C10H16O — CID 140706942

IUPACbuta-1,3-dienoxymethylcyclopentane
SMILESC=CC=COCC1CCCC1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h2-3,8,10H,1,4-7,9H2
InChIKeyNFVNQOLQTVXINS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds4

About buta-1,3-dienoxymethylcyclopentane

buta-1,3-dienoxymethylcyclopentane (PubChem CID 140706942) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is buta-1,3-dienoxymethylcyclopentane.

Molecular Properties

Compound Namebuta-1,3-dienoxymethylcyclopentane
PubChem CID140706942
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namebuta-1,3-dienoxymethylcyclopentane
SMILESC=CC=COCC1CCCC1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h2-3,8,10H,1,4-7,9H2
InChIKeyNFVNQOLQTVXINS-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze buta-1,3-dienoxymethylcyclopentane with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-pent-1-enoxy]methylcyclopentane
CID 173273027
pent-1-enoxymethylcyclodecane
CID 173273161
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
4-(ethenoxymethyl)thiane
CID 176603153
N-(cyclopentylmethoxy)formamide
CID 23090322
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
oct-7-enoxymethylcyclohexane
CID 53248071
cyclohexylmethyl but-3-enoate
CID 142409081

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienoxymethylcyclopentane?
The IUPAC name of buta-1,3-dienoxymethylcyclopentane (CID 140706942) is buta-1,3-dienoxymethylcyclopentane.
What is the SMILES notation for buta-1,3-dienoxymethylcyclopentane?
The canonical SMILES for buta-1,3-dienoxymethylcyclopentane is C=CC=COCC1CCCC1.
What is the InChIKey of buta-1,3-dienoxymethylcyclopentane?
The InChIKey is NFVNQOLQTVXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h2-3,8,10H,1,4-7,9H2.
What are the key properties of buta-1,3-dienoxymethylcyclopentane?
buta-1,3-dienoxymethylcyclopentane has a molecular weight of 152.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienoxymethylcyclopentane is sourced from PubChem (CID 140706942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).