2-[(E)-2-methylhex-1-enyl]oxane

C12H22O — CID 134902064

IUPAC2-[(E)-2-methylhex-1-enyl]oxane
SMILESCCCC/C(C)=C/C1CCCCO1
InChIInChI=1S/C12H22O/c1-3-4-7-11(2)10-12-8-5-6-9-13-12/h10,12H,3-9H2,1-2H3/b11-10+
InChIKeyPEYCWGWBJXGCTR-ZHACJKMWSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds4

About 2-[(E)-2-methylhex-1-enyl]oxane

2-[(E)-2-methylhex-1-enyl]oxane (PubChem CID 134902064) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(E)-2-methylhex-1-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-2-methylhex-1-enyl]oxane
PubChem CID134902064
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-[(E)-2-methylhex-1-enyl]oxane
SMILESCCCC/C(C)=C/C1CCCCO1
InChIInChI=1S/C12H22O/c1-3-4-7-11(2)10-12-8-5-6-9-13-12/h10,12H,3-9H2,1-2H3/b11-10+
InChIKeyPEYCWGWBJXGCTR-ZHACJKMWSA-N
XLogP3.69
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 ≤ 53.69
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

Rose oxide
CID 27866
(+-)-Nerol oxide
CID 61275
Rose oxide, cis-(-)-
CID 1712087
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
Rose oxide, trans-(-)-
CID 7093102
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
Rose oxide, cis-(+)-
CID 6432154
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
Rose oxide, trans-(+)-
CID 1712086
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylhex-1-enyl]oxane?
The IUPAC name of 2-[(E)-2-methylhex-1-enyl]oxane (CID 134902064) is 2-[(E)-2-methylhex-1-enyl]oxane.
What is the SMILES notation for 2-[(E)-2-methylhex-1-enyl]oxane?
The canonical SMILES for 2-[(E)-2-methylhex-1-enyl]oxane is CCCC/C(C)=C/C1CCCCO1.
What is the InChIKey of 2-[(E)-2-methylhex-1-enyl]oxane?
The InChIKey is PEYCWGWBJXGCTR-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-7-11(2)10-12-8-5-6-9-13-12/h10,12H,3-9H2,1-2H3/b11-10+.
What are the key properties of 2-[(E)-2-methylhex-1-enyl]oxane?
2-[(E)-2-methylhex-1-enyl]oxane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylhex-1-enyl]oxane is sourced from PubChem (CID 134902064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).