tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate

C19H37NO4 — CID 14012614

IUPACtert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate
SMILESCC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-13(2)11-16(21)17(22)15(12-14-9-7-6-8-10-14)20-18(23)24-19(3,4)5/h13-17,21-22H,6-12H2,1-5H3,(H,20,23)
InChIKeyZHAZNVULMASDSK-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.62
Rot. Bonds7

About tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate

tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate (PubChem CID 14012614) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate
PubChem CID14012614
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nametert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate
SMILESCC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-13(2)11-16(21)17(22)15(12-14-9-7-6-8-10-14)20-18(23)24-19(3,4)5/h13-17,21-22H,6-12H2,1-5H3,(H,20,23)
InChIKeyZHAZNVULMASDSK-UHFFFAOYSA-N
XLogP3.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate (CID 14012614) is tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate is CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate?
The InChIKey is ZHAZNVULMASDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-13(2)11-16(21)17(22)15(12-14-9-7-6-8-10-14)20-18(23)24-19(3,4)5/h13-17,21-22H,6-12H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate?
tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate has a molecular weight of 343.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate is sourced from PubChem (CID 14012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).