cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol

C12H22O2 — CID 14611760

IUPACcis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol
SMILESC[C@H]1OCCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H22O2/c1-9-10(6-4-8-14-9)11-5-2-3-7-12(11)13/h9-13H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyNJSHRDUOULQQQU-KXNHARMFSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds1

About cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol

cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol (PubChem CID 14611760) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol
PubChem CID14611760
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol
SMILESC[C@H]1OCCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H22O2/c1-9-10(6-4-8-14-9)11-5-2-3-7-12(11)13/h9-13H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyNJSHRDUOULQQQU-KXNHARMFSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol (CID 14611760) is cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol is C[C@H]1OCCC[C@@H]1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol?
The InChIKey is NJSHRDUOULQQQU-KXNHARMFSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-10(6-4-8-14-9)11-5-2-3-7-12(11)13/h9-13H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R,3R)-2-methyloxan-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 14611760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).