pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate

C15H24O2 — CID 58881473

IUPACpentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
SMILESCCCCCOC(=O)C12C(C)C3CC1C2C3C
InChIInChI=1S/C15H24O2/c1-4-5-6-7-17-14(16)15-10(3)11-8-12(15)13(15)9(11)2/h9-13H,4-8H2,1-3H3
InChIKeySUZFODNAVRGRPA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.26
Rot. Bonds5

About pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate

pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate (PubChem CID 58881473) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate.

Molecular Properties

Compound Namepentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
PubChem CID58881473
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namepentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
SMILESCCCCCOC(=O)C12C(C)C3CC1C2C3C
InChIInChI=1S/C15H24O2/c1-4-5-6-7-17-14(16)15-10(3)11-8-12(15)13(15)9(11)2/h9-13H,4-8H2,1-3H3
InChIKeySUZFODNAVRGRPA-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.26
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

2,2,3,3,6,6,7,7,7-nonafluoroheptyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
CID 88981354
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
tridecyl adamantane-1-carboxylate
CID 585445
pentyl 1-chlorocyclopropane-1-carboxylate
CID 164737985
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
pentyl 1,2-dibromocyclopentane-1-carboxylate
CID 86197535
hexyl 1-tert-butyl-2-methylcyclobutane-1-carboxylate
CID 67522932
octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766540
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356

Frequently Asked Questions

What is the IUPAC name of pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The IUPAC name of pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate (CID 58881473) is pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate.
What is the SMILES notation for pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The canonical SMILES for pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate is CCCCCOC(=O)C12C(C)C3CC1C2C3C.
What is the InChIKey of pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The InChIKey is SUZFODNAVRGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-6-7-17-14(16)15-10(3)11-8-12(15)13(15)9(11)2/h9-13H,4-8H2,1-3H3.
What are the key properties of pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate is sourced from PubChem (CID 58881473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).