4-methylpentyl cyclopropanecarboxylate

C10H18O2 — CID 550148

IUPAC4-methylpentyl cyclopropanecarboxylate
SMILESCC(C)CCCOC(=O)C1CC1
InChIInChI=1S/C10H18O2/c1-8(2)4-3-7-12-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPPVSGFYKEFFADI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds5

About 4-methylpentyl cyclopropanecarboxylate

4-methylpentyl cyclopropanecarboxylate (PubChem CID 550148) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methylpentyl cyclopropanecarboxylate.

Molecular Properties

Compound Name4-methylpentyl cyclopropanecarboxylate
PubChem CID550148
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methylpentyl cyclopropanecarboxylate
SMILESCC(C)CCCOC(=O)C1CC1
InChIInChI=1S/C10H18O2/c1-8(2)4-3-7-12-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPPVSGFYKEFFADI-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
4-methylpentyl cyclopentanecarboxylate
CID 566242
1-O-ethyl 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 66984352
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273
4-O-(9-methyldecyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983804
4-O-(6-methylheptyl) 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983668
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845
bis(4-methylpentyl) cycloheptane-1,3-dicarboxylate
CID 172819323
ethane-1,2-diol;4-(10-methylundecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174499300
3,4-bis(4-methylpentoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984266

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl cyclopropanecarboxylate?
The IUPAC name of 4-methylpentyl cyclopropanecarboxylate (CID 550148) is 4-methylpentyl cyclopropanecarboxylate.
What is the SMILES notation for 4-methylpentyl cyclopropanecarboxylate?
The canonical SMILES for 4-methylpentyl cyclopropanecarboxylate is CC(C)CCCOC(=O)C1CC1.
What is the InChIKey of 4-methylpentyl cyclopropanecarboxylate?
The InChIKey is PPVSGFYKEFFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)4-3-7-12-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-methylpentyl cyclopropanecarboxylate?
4-methylpentyl cyclopropanecarboxylate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl cyclopropanecarboxylate is sourced from PubChem (CID 550148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).