(3E)-3-(3-methylbut-3-en-2-ylidene)oxane

C10H16O — CID 171788827

IUPAC(3E)-3-(3-methylbut-3-en-2-ylidene)oxane
SMILESC=C(C)/C(C)=C1\CCCOC1
InChIInChI=1S/C10H16O/c1-8(2)9(3)10-5-4-6-11-7-10/h1,4-7H2,2-3H3/b10-9+
InChIKeySFRRXIBLRUHDQV-MDZDMXLPSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds1

About (3E)-3-(3-methylbut-3-en-2-ylidene)oxane

(3E)-3-(3-methylbut-3-en-2-ylidene)oxane (PubChem CID 171788827) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E)-3-(3-methylbut-3-en-2-ylidene)oxane.

Molecular Properties

Compound Name(3E)-3-(3-methylbut-3-en-2-ylidene)oxane
PubChem CID171788827
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3E)-3-(3-methylbut-3-en-2-ylidene)oxane
SMILESC=C(C)/C(C)=C1\CCCOC1
InChIInChI=1S/C10H16O/c1-8(2)9(3)10-5-4-6-11-7-10/h1,4-7H2,2-3H3/b10-9+
InChIKeySFRRXIBLRUHDQV-MDZDMXLPSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-3-(3-methylbut-3-en-2-ylidene)oxane 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

2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
Geraniol butyl ether
CID 14083497
5-Propyl-3,6-dihydro-pyran
CID 57155725
3-(4-Fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
CID 123415534
1-Fluoro-4-(methoxymethyl)cyclohexa-1,3-diene
CID 123947062
(3Z)-4-fluoro-3-propylideneoxane
CID 134461992
(3E)-3-(1-fluoro-2-methylprop-2-enylidene)-2-methylideneoxane
CID 144499439
(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane
CID 144931713
(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane
CID 156867717
3-Fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
CID 173018074
1-(Ethoxymethyl)-3-fluorocyclohexa-1,3-diene
CID 173018101
4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 91333642

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-methylbut-3-en-2-ylidene)oxane?
The IUPAC name of (3E)-3-(3-methylbut-3-en-2-ylidene)oxane (CID 171788827) is (3E)-3-(3-methylbut-3-en-2-ylidene)oxane.
What is the SMILES notation for (3E)-3-(3-methylbut-3-en-2-ylidene)oxane?
The canonical SMILES for (3E)-3-(3-methylbut-3-en-2-ylidene)oxane is C=C(C)/C(C)=C1\CCCOC1.
What is the InChIKey of (3E)-3-(3-methylbut-3-en-2-ylidene)oxane?
The InChIKey is SFRRXIBLRUHDQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9(3)10-5-4-6-11-7-10/h1,4-7H2,2-3H3/b10-9+.
What are the key properties of (3E)-3-(3-methylbut-3-en-2-ylidene)oxane?
(3E)-3-(3-methylbut-3-en-2-ylidene)oxane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-methylbut-3-en-2-ylidene)oxane is sourced from PubChem (CID 171788827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).