6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene

C19H30O — CID 89269407

IUPAC6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene
SMILESC=C/C(C)=C\C(CCC(=C)C)OCC1CCCC=C1C
InChIInChI=1S/C19H30O/c1-6-16(4)13-19(12-11-15(2)3)20-14-18-10-8-7-9-17(18)5/h6,9,13,18-19H,1-2,7-8,10-12,14H2,3-5H3/b16-13-
InChIKeyVMXGPLYBISUGCF-SSZFMOIBSA-N
MW274.45 g/mol
LogP5.61
Rot. Bonds8

About 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene

6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene (PubChem CID 89269407) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene.

Molecular Properties

Compound Name6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene
PubChem CID89269407
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene
SMILESC=C/C(C)=C\C(CCC(=C)C)OCC1CCCC=C1C
InChIInChI=1S/C19H30O/c1-6-16(4)13-19(12-11-15(2)3)20-14-18-10-8-7-9-17(18)5/h6,9,13,18-19H,1-2,7-8,10-12,14H2,3-5H3/b16-13-
InChIKeyVMXGPLYBISUGCF-SSZFMOIBSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
Methyl piperitol
CID 12284330
Rose oxide, trans-(+)-
CID 1712086
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
cis-Quinceoxepane
CID 131752305
cis-3-Ethoxy-p-menth-1-ene
CID 85842332

Frequently Asked Questions

What is the IUPAC name of 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene?
The IUPAC name of 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene (CID 89269407) is 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene.
What is the SMILES notation for 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene?
The canonical SMILES for 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene is C=C/C(C)=C\C(CCC(=C)C)OCC1CCCC=C1C.
What is the InChIKey of 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene?
The InChIKey is VMXGPLYBISUGCF-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H30O/c1-6-16(4)13-19(12-11-15(2)3)20-14-18-10-8-7-9-17(18)5/h6,9,13,18-19H,1-2,7-8,10-12,14H2,3-5H3/b16-13-.
What are the key properties of 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene?
6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene has a molecular weight of 274.45 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene is sourced from PubChem (CID 89269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).