4-heptylcyclohexane-1-carboxylic acid;hydrochloride

C14H27ClO2 — CID 70374677

IUPAC4-heptylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCCCCCCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C14H26O2.ClH/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16;/h12-13H,2-11H2,1H3,(H,15,16);1H
InChIKeyFYLPFYDIGLUCGV-UHFFFAOYSA-N
MW262.82 g/mol
LogP4.66
Rot. Bonds7

About 4-heptylcyclohexane-1-carboxylic acid;hydrochloride

4-heptylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 70374677) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is 4-heptylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-heptylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID70374677
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Name4-heptylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCCCCCCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C14H26O2.ClH/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16;/h12-13H,2-11H2,1H3,(H,15,16);1H
InChIKeyFYLPFYDIGLUCGV-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
1-(4-pentylcyclohexyl)ethanone
CID 13278013
3-octylcyclobutane-1-carboxylic acid
CID 19430953
4-(4-pentylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 12809532
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
4-pentylcyclohexane-1-carboxylate
CID 6993970
4-(5-hexyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylic acid
CID 56622965
sodium 4-pentylcyclohexane-1-carboxylate
CID 156501187
3-hexylcyclohexane-1-carboxylic acid
CID 66817282

Frequently Asked Questions

What is the IUPAC name of 4-heptylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-heptylcyclohexane-1-carboxylic acid;hydrochloride (CID 70374677) is 4-heptylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-heptylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-heptylcyclohexane-1-carboxylic acid;hydrochloride is CCCCCCCC1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 4-heptylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is FYLPFYDIGLUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.ClH/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16;/h12-13H,2-11H2,1H3,(H,15,16);1H.
What are the key properties of 4-heptylcyclohexane-1-carboxylic acid;hydrochloride?
4-heptylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70374677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).