cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate

C10H18O4 — CID 69240437

IUPACcis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate
SMILESCOCO[C@H]1CCC[C@@H](C(=O)OC)C1
InChIInChI=1S/C10H18O4/c1-12-7-14-9-5-3-4-8(6-9)10(11)13-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBJNZGZRMUOLENY-BDAKNGLRSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate

cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate (PubChem CID 69240437) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate
PubChem CID69240437
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate
SMILESCOCO[C@H]1CCC[C@@H](C(=O)OC)C1
InChIInChI=1S/C10H18O4/c1-12-7-14-9-5-3-4-8(6-9)10(11)13-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBJNZGZRMUOLENY-BDAKNGLRSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
cis-methyl (1R,3S)-3-(2-phenylethoxy)cyclohexane-1-carboxylate
CID 129389048
3-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 19804660
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
cis-methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 58952956
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
methyl 3-hydroxycyclohexane-1-carboxylate;hydrate
CID 172848258
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate (CID 69240437) is cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate is COCO[C@H]1CCC[C@@H](C(=O)OC)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate?
The InChIKey is BJNZGZRMUOLENY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-7-14-9-5-3-4-8(6-9)10(11)13-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate?
cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 69240437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).