(3E)-3-ethylidene-4-propan-2-yloxolane

C9H16O — CID 163620824

IUPAC(3E)-3-ethylidene-4-propan-2-yloxolane
SMILESC/C=C1/COCC1C(C)C
InChIInChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyHNYMUBJVVVCKTD-YWEYNIOJSA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds1

About (3E)-3-ethylidene-4-propan-2-yloxolane

(3E)-3-ethylidene-4-propan-2-yloxolane (PubChem CID 163620824) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-3-ethylidene-4-propan-2-yloxolane.

Molecular Properties

Compound Name(3E)-3-ethylidene-4-propan-2-yloxolane
PubChem CID163620824
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-3-ethylidene-4-propan-2-yloxolane
SMILESC/C=C1/COCC1C(C)C
InChIInChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyHNYMUBJVVVCKTD-YWEYNIOJSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
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(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
CID 101190094
(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
CID 101190095
(2S,3R)-2,3-dimethyl-2-[(E)-prop-1-enyl]oxolane
CID 101854719
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
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(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
(4Z)-3-ethenyl-4-pentylideneoxolane
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-4-propan-2-yloxolane?
The IUPAC name of (3E)-3-ethylidene-4-propan-2-yloxolane (CID 163620824) is (3E)-3-ethylidene-4-propan-2-yloxolane.
What is the SMILES notation for (3E)-3-ethylidene-4-propan-2-yloxolane?
The canonical SMILES for (3E)-3-ethylidene-4-propan-2-yloxolane is C/C=C1/COCC1C(C)C.
What is the InChIKey of (3E)-3-ethylidene-4-propan-2-yloxolane?
The InChIKey is HNYMUBJVVVCKTD-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h4,7,9H,5-6H2,1-3H3/b8-4-.
What are the key properties of (3E)-3-ethylidene-4-propan-2-yloxolane?
(3E)-3-ethylidene-4-propan-2-yloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-4-propan-2-yloxolane is sourced from PubChem (CID 163620824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).