1-(3-carboxypropyl)cyclodecane-1-carboxylic acid

C15H26O4 — CID 66632824

IUPAC1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
SMILESO=C(O)CCCC1(C(=O)O)CCCCCCCCC1
InChIInChI=1S/C15H26O4/c16-13(17)9-8-12-15(14(18)19)10-6-4-2-1-3-5-7-11-15/h1-12H2,(H,16,17)(H,18,19)
InChIKeyRSZMECMVCFEKNR-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid

1-(3-carboxypropyl)cyclodecane-1-carboxylic acid (PubChem CID 66632824) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
PubChem CID66632824
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
SMILESO=C(O)CCCC1(C(=O)O)CCCCCCCCC1
InChIInChI=1S/C15H26O4/c16-13(17)9-8-12-15(14(18)19)10-6-4-2-1-3-5-7-11-15/h1-12H2,(H,16,17)(H,18,19)
InChIKeyRSZMECMVCFEKNR-UHFFFAOYSA-N
XLogP3.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
4-(1-methoxycarbonylcyclohexyl)butanoic acid
CID 142915955
4-(1-methoxycarbonylcyclopentyl)butanoic acid
CID 139435160
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307

Frequently Asked Questions

What is the IUPAC name of 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid?
The IUPAC name of 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid (CID 66632824) is 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid.
What is the SMILES notation for 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid?
The canonical SMILES for 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid is O=C(O)CCCC1(C(=O)O)CCCCCCCCC1.
What is the InChIKey of 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid?
The InChIKey is RSZMECMVCFEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c16-13(17)9-8-12-15(14(18)19)10-6-4-2-1-3-5-7-11-15/h1-12H2,(H,16,17)(H,18,19).
What are the key properties of 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid?
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carboxypropyl)cyclodecane-1-carboxylic acid is sourced from PubChem (CID 66632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).