(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane

C14H16O — CID 15890703

IUPAC(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane
SMILESC=CC1COC/C1=C\c1ccc(C)cc1
InChIInChI=1S/C14H16O/c1-3-13-9-15-10-14(13)8-12-6-4-11(2)5-7-12/h3-8,13H,1,9-10H2,2H3/b14-8+
InChIKeyYEHNVDZKAAGZQJ-RIYZIHGNSA-N
MW200.28 g/mol
LogP3.21
Rot. Bonds2

About (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane

(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane (PubChem CID 15890703) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane.

Molecular Properties

Compound Name(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane
PubChem CID15890703
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane
SMILESC=CC1COC/C1=C\c1ccc(C)cc1
InChIInChI=1S/C14H16O/c1-3-13-9-15-10-14(13)8-12-6-4-11(2)5-7-12/h3-8,13H,1,9-10H2,2H3/b14-8+
InChIKeyYEHNVDZKAAGZQJ-RIYZIHGNSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane 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

Isoamyl benzyl ether
CID 31227
1-(Ethoxymethyl)-4-methylbenzene
CID 12727419
Benzene, [2-[(3-methyl-2-buten-1-yl)oxy]ethyl]-
CID 162597
4-(2-Methylpropyl)benzyl propyl ether
CID 122553315
Allyl p-methylbenzyl ether
CID 570621
(3-Methoxy-1-propenyl)benzene
CID 5462920
Benzene, ((2-methylpropoxy)methyl)-
CID 70328
Rare chemical library compound-solid
CID 3646561
(4-Methylphenyl) methanol, n-butyl ether
CID 11062967
Benzene, 1-methyl-4-(propoxymethyl)-
CID 12194950
{[(2R)-2-methylbutoxy]methyl}benzene
CID 59612647
(4-Methylphenyl) methanol, neopentyl ether
CID 91703785

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane?
The IUPAC name of (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane (CID 15890703) is (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane.
What is the SMILES notation for (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane?
The canonical SMILES for (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane is C=CC1COC/C1=C\c1ccc(C)cc1.
What is the InChIKey of (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane?
The InChIKey is YEHNVDZKAAGZQJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H16O/c1-3-13-9-15-10-14(13)8-12-6-4-11(2)5-7-12/h3-8,13H,1,9-10H2,2H3/b14-8+.
What are the key properties of (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane?
(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane has a molecular weight of 200.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane is sourced from PubChem (CID 15890703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).