2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid

C19H34O3 — CID 166966633

IUPAC2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCCCCC(C2CCC(C(=O)O)C(O)C2)CC1
InChIInChI=1S/C19H34O3/c1-14-7-5-3-2-4-6-8-15(10-9-14)16-11-12-17(19(21)22)18(20)13-16/h14-18,20H,2-13H2,1H3,(H,21,22)
InChIKeyFNGSKVJQSXJCNN-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.62
Rot. Bonds2

About 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid

2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid (PubChem CID 166966633) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid
PubChem CID166966633
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCCCCC(C2CCC(C(=O)O)C(O)C2)CC1
InChIInChI=1S/C19H34O3/c1-14-7-5-3-2-4-6-8-15(10-9-14)16-11-12-17(19(21)22)18(20)13-16/h14-18,20H,2-13H2,1H3,(H,21,22)
InChIKeyFNGSKVJQSXJCNN-UHFFFAOYSA-N
XLogP4.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
CID 81021365
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid (CID 166966633) is 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid is CC1CCCCCCCC(C2CCC(C(=O)O)C(O)C2)CC1.
What is the InChIKey of 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid?
The InChIKey is FNGSKVJQSXJCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-14-7-5-3-2-4-6-8-15(10-9-14)16-11-12-17(19(21)22)18(20)13-16/h14-18,20H,2-13H2,1H3,(H,21,22).
What are the key properties of 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid?
2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid has a molecular weight of 310.48 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166966633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).