1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane

C17H34O — CID 170104308

IUPAC1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane
SMILESCC(C)(C)CCCCOCCCCCC1(C)CC1
InChIInChI=1S/C17H34O/c1-16(2,3)10-7-9-15-18-14-8-5-6-11-17(4)12-13-17/h5-15H2,1-4H3
InChIKeyHOLMEVMPOBJMEU-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.58
Rot. Bonds10

About 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane

1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane (PubChem CID 170104308) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane.

Molecular Properties

Compound Name1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane
PubChem CID170104308
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane
SMILESCC(C)(C)CCCCOCCCCCC1(C)CC1
InChIInChI=1S/C17H34O/c1-16(2,3)10-7-9-15-18-14-8-5-6-11-17(4)12-13-17/h5-15H2,1-4H3
InChIKeyHOLMEVMPOBJMEU-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.58
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-(6,6-dimethylheptyl)-1-methylcyclopropane
CID 123317672
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-(7,7-dimethyloctyl)-2-[5-(1-methylcyclopropyl)pentyl]benzene
CID 164595052
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-(6,6-dimethylheptyl)-2,3-dimethyl-4-[5-(1-methylcyclopropyl)pentyl]benzene
CID 174103814
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
4-(6,6-dimethylheptyl)-6-[5-(1-methylcyclopropyl)pentyl]benzene-1,3-diol
CID 170103789
2-(6,6-dimethylheptyl)-6-[5-(1-methylcyclopropyl)pentyl]benzene-1,4-diol
CID 170103788
2-(7,7-dimethyloctyl)-1,4,5-trimethyl-3-[5-(1-methylcyclopropyl)pentyl]benzene
CID 164595127

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane?
The IUPAC name of 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane (CID 170104308) is 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane.
What is the SMILES notation for 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane?
The canonical SMILES for 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane is CC(C)(C)CCCCOCCCCCC1(C)CC1.
What is the InChIKey of 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane?
The InChIKey is HOLMEVMPOBJMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-16(2,3)10-7-9-15-18-14-8-5-6-11-17(4)12-13-17/h5-15H2,1-4H3.
What are the key properties of 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane?
1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane has a molecular weight of 254.46 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,5-dimethylhexoxy)pentyl]-1-methylcyclopropane is sourced from PubChem (CID 170104308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).