3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane

C13H20O — CID 102264217

IUPAC3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane
SMILESC=C1COCC1/C(C)=C/CC=C(C)C
InChIInChI=1S/C13H20O/c1-10(2)6-5-7-11(3)13-9-14-8-12(13)4/h6-7,13H,4-5,8-9H2,1-3H3/b11-7+
InChIKeyKMGOEDZYZDVSQL-YRNVUSSQSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds3

About 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane

3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane (PubChem CID 102264217) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane.

Molecular Properties

Compound Name3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane
PubChem CID102264217
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane
SMILESC=C1COCC1/C(C)=C/CC=C(C)C
InChIInChI=1S/C13H20O/c1-10(2)6-5-7-11(3)13-9-14-8-12(13)4/h6-7,13H,4-5,8-9H2,1-3H3/b11-7+
InChIKeyKMGOEDZYZDVSQL-YRNVUSSQSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
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

2-Octene, 2,6-dimethyl-8-(2-propenyloxy)-
CID 11367599
4-(2-Methylprop-2-enoxymethyl)cyclohexene
CID 132214704
4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 10607117
8-methyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11768749
(3aS,6R)-7-ethyl-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 100935807
(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
CID 101190095
(3aS,4Z,6R,7Z,9E)-6-methyl-8-propyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190188
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
CID 102509710
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
(4Z)-3-ethenyl-4-pentylideneoxolane
CID 134995544
(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane
CID 135057221
(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 139250131

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane?
The IUPAC name of 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane (CID 102264217) is 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane.
What is the SMILES notation for 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane?
The canonical SMILES for 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane is C=C1COCC1/C(C)=C/CC=C(C)C.
What is the InChIKey of 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane?
The InChIKey is KMGOEDZYZDVSQL-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)6-5-7-11(3)13-9-14-8-12(13)4/h6-7,13H,4-5,8-9H2,1-3H3/b11-7+.
What are the key properties of 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane?
3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane has a molecular weight of 192.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-methylideneoxolane is sourced from PubChem (CID 102264217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).