[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate

C14H27NO4 — CID 67877033

IUPAC[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
SMILESCC(C)[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O
InChIInChI=1S/C14H27NO4/c1-9(2)12(16)13(17)11(19-14(15)18)8-10-6-4-3-5-7-10/h9-13,16-17H,3-8H2,1-2H3,(H2,15,18)/t11-,12+,13-/m0/s1
InChIKeyVMXSCZBLKDWKQI-XQQFMLRXSA-N
MW273.37 g/mol
LogP1.80
Rot. Bonds6

About [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate

[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate (PubChem CID 67877033) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
PubChem CID67877033
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
SMILESCC(C)[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O
InChIInChI=1S/C14H27NO4/c1-9(2)12(16)13(17)11(19-14(15)18)8-10-6-4-3-5-7-10/h9-13,16-17H,3-8H2,1-2H3,(H2,15,18)/t11-,12+,13-/m0/s1
InChIKeyVMXSCZBLKDWKQI-XQQFMLRXSA-N
XLogP1.80
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate?
The IUPAC name of [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate (CID 67877033) is [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate?
The canonical SMILES for [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate is CC(C)[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)OC(N)=O.
What is the InChIKey of [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate?
The InChIKey is VMXSCZBLKDWKQI-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H27NO4/c1-9(2)12(16)13(17)11(19-14(15)18)8-10-6-4-3-5-7-10/h9-13,16-17H,3-8H2,1-2H3,(H2,15,18)/t11-,12+,13-/m0/s1.
What are the key properties of [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate?
[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate has a molecular weight of 273.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate is sourced from PubChem (CID 67877033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).