2-(3-methylidenepent-4-enyl)oxetane

C9H14O — CID 170151200

IUPAC2-(3-methylidenepent-4-enyl)oxetane
SMILESC=CC(=C)CCC1CCO1
InChIInChI=1S/C9H14O/c1-3-8(2)4-5-9-6-7-10-9/h3,9H,1-2,4-7H2
InChIKeyMCNPBDMYCJQRME-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds4

About 2-(3-methylidenepent-4-enyl)oxetane

2-(3-methylidenepent-4-enyl)oxetane (PubChem CID 170151200) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(3-methylidenepent-4-enyl)oxetane.

Molecular Properties

Compound Name2-(3-methylidenepent-4-enyl)oxetane
PubChem CID170151200
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(3-methylidenepent-4-enyl)oxetane
SMILESC=CC(=C)CCC1CCO1
InChIInChI=1S/C9H14O/c1-3-8(2)4-5-9-6-7-10-9/h3,9H,1-2,4-7H2
InChIKeyMCNPBDMYCJQRME-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 145235002
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
CID 167955736
2-(hydroxymethyl)-2-[2-(oxetan-2-yl)ethyl]propane-1,3-diol
CID 67072004
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
CID 11159712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenepent-4-enyl)oxetane?
The IUPAC name of 2-(3-methylidenepent-4-enyl)oxetane (CID 170151200) is 2-(3-methylidenepent-4-enyl)oxetane.
What is the SMILES notation for 2-(3-methylidenepent-4-enyl)oxetane?
The canonical SMILES for 2-(3-methylidenepent-4-enyl)oxetane is C=CC(=C)CCC1CCO1.
What is the InChIKey of 2-(3-methylidenepent-4-enyl)oxetane?
The InChIKey is MCNPBDMYCJQRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8(2)4-5-9-6-7-10-9/h3,9H,1-2,4-7H2.
What are the key properties of 2-(3-methylidenepent-4-enyl)oxetane?
2-(3-methylidenepent-4-enyl)oxetane has a molecular weight of 138.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepent-4-enyl)oxetane is sourced from PubChem (CID 170151200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).