8-hexoxy-3,6-dimethylocta-1,6-diene

C16H30O — CID 163322996

IUPAC8-hexoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CCC(C)=CCOCCCCCC
InChIInChI=1S/C16H30O/c1-5-7-8-9-13-17-14-12-16(4)11-10-15(3)6-2/h6,12,15H,2,5,7-11,13-14H2,1,3-4H3
InChIKeyBVDSIUGSPMCHIT-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.13
Rot. Bonds11

About 8-hexoxy-3,6-dimethylocta-1,6-diene

8-hexoxy-3,6-dimethylocta-1,6-diene (PubChem CID 163322996) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 8-hexoxy-3,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name8-hexoxy-3,6-dimethylocta-1,6-diene
PubChem CID163322996
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name8-hexoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CCC(C)=CCOCCCCCC
InChIInChI=1S/C16H30O/c1-5-7-8-9-13-17-14-12-16(4)11-10-15(3)6-2/h6,12,15H,2,5,7-11,13-14H2,1,3-4H3
InChIKeyBVDSIUGSPMCHIT-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
Cyclopentene, 2-(ethoxymethyl)-1-methyl-3-(1-methylethenyl)-
CID 60138535
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
Rose oxide, trans-(+)-
CID 1712086
(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
CID 162880600
4-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 102371046
2-Octene, 2,6-dimethyl-8-(2-propenyloxy)-
CID 11367599
1-Methoxy-3,6-dimethyl-2,7-octadiene
CID 13332107
Citronellyl ether
CID 23297377

Frequently Asked Questions

What is the IUPAC name of 8-hexoxy-3,6-dimethylocta-1,6-diene?
The IUPAC name of 8-hexoxy-3,6-dimethylocta-1,6-diene (CID 163322996) is 8-hexoxy-3,6-dimethylocta-1,6-diene.
What is the SMILES notation for 8-hexoxy-3,6-dimethylocta-1,6-diene?
The canonical SMILES for 8-hexoxy-3,6-dimethylocta-1,6-diene is C=CC(C)CCC(C)=CCOCCCCCC.
What is the InChIKey of 8-hexoxy-3,6-dimethylocta-1,6-diene?
The InChIKey is BVDSIUGSPMCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-7-8-9-13-17-14-12-16(4)11-10-15(3)6-2/h6,12,15H,2,5,7-11,13-14H2,1,3-4H3.
What are the key properties of 8-hexoxy-3,6-dimethylocta-1,6-diene?
8-hexoxy-3,6-dimethylocta-1,6-diene has a molecular weight of 238.41 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexoxy-3,6-dimethylocta-1,6-diene is sourced from PubChem (CID 163322996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).