3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane

C12H22O — CID 67952228

IUPAC3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane
SMILESCC(C)C/C=C\CC1(C)CCOC1
InChIInChI=1S/C12H22O/c1-11(2)6-4-5-7-12(3)8-9-13-10-12/h4-5,11H,6-10H2,1-3H3/b5-4-
InChIKeyISVCOROKQPAGJG-PLNGDYQASA-N
MW182.31 g/mol
LogP3.41
Rot. Bonds4

About 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane

3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane (PubChem CID 67952228) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane.

Molecular Properties

Compound Name3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane
PubChem CID67952228
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane
SMILESCC(C)C/C=C\CC1(C)CCOC1
InChIInChI=1S/C12H22O/c1-11(2)6-4-5-7-12(3)8-9-13-10-12/h4-5,11H,6-10H2,1-3H3/b5-4-
InChIKeyISVCOROKQPAGJG-PLNGDYQASA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane?
The IUPAC name of 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane (CID 67952228) is 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane.
What is the SMILES notation for 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane?
The canonical SMILES for 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane is CC(C)C/C=C\CC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane?
The InChIKey is ISVCOROKQPAGJG-PLNGDYQASA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)6-4-5-7-12(3)8-9-13-10-12/h4-5,11H,6-10H2,1-3H3/b5-4-.
What are the key properties of 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane?
3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane has a molecular weight of 182.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane is sourced from PubChem (CID 67952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).