1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane

C17H34O — CID 163917952

IUPAC1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
SMILESCCCC(CCCOC)CCC1CCC(C)CC1
InChIInChI=1S/C17H34O/c1-4-6-16(7-5-14-18-3)12-13-17-10-8-15(2)9-11-17/h15-17H,4-14H2,1-3H3
InChIKeyQXXHNQBAWKIJJB-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.44
Rot. Bonds9

About 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane

1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane (PubChem CID 163917952) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
PubChem CID163917952
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
SMILESCCCC(CCCOC)CCC1CCC(C)CC1
InChIInChI=1S/C17H34O/c1-4-6-16(7-5-14-18-3)12-13-17-10-8-15(2)9-11-17/h15-17H,4-14H2,1-3H3
InChIKeyQXXHNQBAWKIJJB-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
(7-methyl-3-propylundecyl)cyclopropane
CID 123743915
5-methoxy-2-propylpentan-1-ol
CID 66060260
1-(3-bromohexyl)-4-methylcyclohexane
CID 64774091
3-ethylhexylcyclopentane
CID 123372890
3-ethylpentylcyclopropane
CID 91030831
1-(4-iodoheptyl)-4-methylcyclohexane
CID 118203384
1-(4-butyloctyl)-3-methylcyclopentane
CID 123934919
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
1-(4-ethylhexoxy)-4-methylcyclohexane
CID 123446750
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane?
The IUPAC name of 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane (CID 163917952) is 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane?
The canonical SMILES for 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane is CCCC(CCCOC)CCC1CCC(C)CC1.
What is the InChIKey of 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane?
The InChIKey is QXXHNQBAWKIJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-4-6-16(7-5-14-18-3)12-13-17-10-8-15(2)9-11-17/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane?
1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane has a molecular weight of 254.46 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane is sourced from PubChem (CID 163917952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).