(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane

C9H14O — CID 134931636

IUPAC(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
SMILESC/C=C1\COCC1/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-9-7-10-6-8(9)4-2/h3-5,9H,6-7H2,1-2H3/b5-3+,8-4+
InChIKeyCNNYBMQGFISHLV-MSLMYCKWSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds1

About (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane

(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane (PubChem CID 134931636) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
PubChem CID134931636
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
SMILESC/C=C1\COCC1/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-9-7-10-6-8(9)4-2/h3-5,9H,6-7H2,1-2H3/b5-3+,8-4+
InChIKeyCNNYBMQGFISHLV-MSLMYCKWSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
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

3-Ethenyl-4-methylideneoxolane
CID 13975083
(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
3-Ethyl-3,6-dihydro-2H-pyran
CID 13166770
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555
3-Ethylidenetetrahydrofuran
CID 123791702
4-Methyl-2-propan-2-yl-2,5-dihydrofuran
CID 14974563
4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 10607117
(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11116125
(3aS,4Z,6R,7E,9E)-8-[[(2E,4E)-hexa-2,4-dienoxy]methyl]-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 11196563
(4Z)-3-ethenyl-4-[2-(methoxymethoxy)ethylidene]oxolane
CID 11252389
(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane
CID 11367532

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane?
The IUPAC name of (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane (CID 134931636) is (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane.
What is the SMILES notation for (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane?
The canonical SMILES for (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane is C/C=C1\COCC1/C=C/C.
What is the InChIKey of (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane?
The InChIKey is CNNYBMQGFISHLV-MSLMYCKWSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-9-7-10-6-8(9)4-2/h3-5,9H,6-7H2,1-2H3/b5-3+,8-4+.
What are the key properties of (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane?
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane has a molecular weight of 138.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane is sourced from PubChem (CID 134931636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).