(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate

C8H14N2O6 — CID 67610798

IUPAC(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate
SMILESNC(=O)OC1(OC(N)=O)CCCCC1(O)O
InChIInChI=1S/C8H14N2O6/c9-5(11)15-8(16-6(10)12)4-2-1-3-7(8,13)14/h13-14H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyULWVPSFFMSEBFC-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.87
Rot. Bonds2

About (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate

(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate (PubChem CID 67610798) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate.

Molecular Properties

Compound Name(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate
PubChem CID67610798
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate
SMILESNC(=O)OC1(OC(N)=O)CCCCC1(O)O
InChIInChI=1S/C8H14N2O6/c9-5(11)15-8(16-6(10)12)4-2-1-3-7(8,13)14/h13-14H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyULWVPSFFMSEBFC-UHFFFAOYSA-N
XLogP-0.87
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-aminocyclohexyl) carbamate;hydrochloride
CID 143520361
1-hydroxycyclopentane-1-carboxamide
CID 12857769
(1-carbamoyloxycyclohexyl) methanesulfonate
CID 146454370
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
(1-ethynyl-2-hydroxycyclohexyl) carbamate
CID 45092421
(1-tert-butyl-4-hydroxy-4-methylcyclohexyl) carbamate
CID 66852935
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
(4-methyloxan-4-yl) carbamate
CID 141404618
1-aminocyclopentane-1-carboxamide
CID 139066563
8-hydroxyspiro[4.5]decane-8-carboxamide
CID 114819912
(1-hydroxycyclooctyl) acetate
CID 91039609

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate?
The IUPAC name of (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate (CID 67610798) is (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate.
What is the SMILES notation for (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate?
The canonical SMILES for (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate is NC(=O)OC1(OC(N)=O)CCCCC1(O)O.
What is the InChIKey of (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate?
The InChIKey is ULWVPSFFMSEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c9-5(11)15-8(16-6(10)12)4-2-1-3-7(8,13)14/h13-14H,1-4H2,(H2,9,11)(H2,10,12).
What are the key properties of (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate?
(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate has a molecular weight of 234.21 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate is sourced from PubChem (CID 67610798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).