cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid

C8H14O3 — CID 853156

IUPACcis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
SMILESCO[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyKAWNRNMMEKTYGM-NKWVEPMBSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds2

About cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid

cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid (PubChem CID 853156) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
PubChem CID853156
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
SMILESCO[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyKAWNRNMMEKTYGM-NKWVEPMBSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199
trans-(1S,3S)-3-(2-methylcyclopropyl)oxycyclohexane-1-carboxylic acid
CID 155007700
1-(3-methoxycyclohexyl)prop-2-en-1-one
CID 89089169
chloromethyl 3-methoxycyclohexane-1-carboxylate
CID 88996258
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
1-(3-methoxycyclohexyl)ethenamine
CID 145478240
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-(3-methoxycyclohexyl)propanoic acid
CID 79418099
cyclohexane-1,3-dicarboxylic acid;2-methylbut-2-ene
CID 70371264
1-(3-methoxycyclopentyl)ethanone
CID 140959253

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid (CID 853156) is cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid is CO[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid?
The InChIKey is KAWNRNMMEKTYGM-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 853156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).