(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate

C15H29NO4 — CID 174498992

IUPAC(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CC1CCCCC1)C(O)CO
InChIInChI=1S/C15H29NO4/c1-15(2,3)16-14(19)20-13(12(18)10-17)9-11-7-5-4-6-8-11/h11-13,17-18H,4-10H2,1-3H3,(H,16,19)
InChIKeyIEQCPOLZNKKDNO-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.20
Rot. Bonds5

About (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate

(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate (PubChem CID 174498992) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
PubChem CID174498992
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CC1CCCCC1)C(O)CO
InChIInChI=1S/C15H29NO4/c1-15(2,3)16-14(19)20-13(12(18)10-17)9-11-7-5-4-6-8-11/h11-13,17-18H,4-10H2,1-3H3,(H,16,19)
InChIKeyIEQCPOLZNKKDNO-UHFFFAOYSA-N
XLogP2.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl] N-tert-butylcarbamate
CID 174764516
(1-Cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl) carbamate
CID 20092496
[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] N-tert-butylcarbamate
CID 57117787
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] N-tert-butylcarbamate
CID 57223992
[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] N-tert-butylcarbamate
CID 57289469
[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
CID 67798595
[(2S,3S,4S)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
CID 67798598
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
CID 67799084
[(2S,3S,4S)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
CID 67799086
[(2S,3R,4R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl] carbamate
CID 67877033
[3-(hydroxymethyl)cyclohexyl] N-tert-butylcarbamate
CID 90910799
[4-(hydroxymethyl)cyclohexyl]methyl N-tert-butylcarbamate
CID 96845085

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate (CID 174498992) is (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CC1CCCCC1)C(O)CO.
What is the InChIKey of (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The InChIKey is IEQCPOLZNKKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-15(2,3)16-14(19)20-13(12(18)10-17)9-11-7-5-4-6-8-11/h11-13,17-18H,4-10H2,1-3H3,(H,16,19).
What are the key properties of (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate has a molecular weight of 287.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174498992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).