4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane

C19H36O2 — CID 67096330

IUPAC4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCC(C)CC(C)OCCC
InChIInChI=1S/C19H36O2/c1-7-10-20-17(6)11-16(5)13-21-19-12-15(4)8-9-18(19)14(2)3/h15-19H,2,7-13H2,1,3-6H3
InChIKeyNFOFSACQXMCUPE-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.23
Rot. Bonds9

About 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane

4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane (PubChem CID 67096330) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane
PubChem CID67096330
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCC(C)CC(C)OCCC
InChIInChI=1S/C19H36O2/c1-7-10-20-17(6)11-16(5)13-21-19-12-15(4)8-9-18(19)14(2)3/h15-19H,2,7-13H2,1,3-6H3
InChIKeyNFOFSACQXMCUPE-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
CID 91389809
2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096167
2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096057
4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
CID 67096274
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(2S)-3-(2,5-dimethylcyclohexyl)oxybut-3-en-2-ol;propane
CID 144946376
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428865
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
3-methylbutanoic acid;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 53471029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane (CID 67096330) is 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)CC1OCC(C)CC(C)OCCC.
What is the InChIKey of 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane?
The InChIKey is NFOFSACQXMCUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-7-10-20-17(6)11-16(5)13-21-19-12-15(4)8-9-18(19)14(2)3/h15-19H,2,7-13H2,1,3-6H3.
What are the key properties of 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane?
4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane has a molecular weight of 296.50 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 67096330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).