3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane

C11H16O — CID 145099814

IUPAC3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane
SMILESC=C/C=C\C(=C)C1(C)CCOC1
InChIInChI=1S/C11H16O/c1-4-5-6-10(2)11(3)7-8-12-9-11/h4-6H,1-2,7-9H2,3H3/b6-5-
InChIKeySECRQPCYWZPCBN-WAYWQWQTSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds3

About 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane

3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane (PubChem CID 145099814) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane.

Molecular Properties

Compound Name3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane
PubChem CID145099814
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane
SMILESC=C/C=C\C(=C)C1(C)CCOC1
InChIInChI=1S/C11H16O/c1-4-5-6-10(2)11(3)7-8-12-9-11/h4-6H,1-2,7-9H2,3H3/b6-5-
InChIKeySECRQPCYWZPCBN-WAYWQWQTSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-tert-butyl-3-[(1E)-2-methylbuta-1,3-dienyl]oxolane
CID 134969003
3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane
CID 67952228
4,4-Di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane
CID 70544439
4-tert-butylphenyllithium THF
CID 86638313
2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane
CID 89002063
3,3,5-trimethyl-4-prop-1-enyl-2H-furan
CID 90759600
4-Methyl-4-(propoxymethyl)cyclopentene
CID 122413525
4-(Methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
CID 123825938
5,5-Bis(2-methoxyethyl)cyclopenta-1,3-diene
CID 140403990
Carbanide;5-(ethoxymethyl)-5-ethylcyclopenta-1,3-diene;platinum
CID 141678833
Ethane;11-ethyl-11-methyl-4-oxabicyclo[6.5.0]trideca-1(8),9,12-triene
CID 141791044
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane?
The IUPAC name of 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane (CID 145099814) is 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane.
What is the SMILES notation for 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane?
The canonical SMILES for 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane is C=C/C=C\C(=C)C1(C)CCOC1.
What is the InChIKey of 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane?
The InChIKey is SECRQPCYWZPCBN-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16O/c1-4-5-6-10(2)11(3)7-8-12-9-11/h4-6H,1-2,7-9H2,3H3/b6-5-.
What are the key properties of 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane?
3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane has a molecular weight of 164.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane is sourced from PubChem (CID 145099814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).