tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate

C13H25NO3 — CID 46201510

IUPACtert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
SMILESCC(C)=C[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(2)9-11(15)7-6-8-14-12(16)17-13(3,4)5/h9,11,15H,6-8H2,1-5H3,(H,14,16)/t11-/m1/s1
InChIKeyLBPYNMHPHVDLGW-LLVKDONJSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate

tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate (PubChem CID 46201510) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
PubChem CID46201510
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
SMILESCC(C)=C[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(2)9-11(15)7-6-8-14-12(16)17-13(3,4)5/h9,11,15H,6-8H2,1-5H3,(H,14,16)/t11-/m1/s1
InChIKeyLBPYNMHPHVDLGW-LLVKDONJSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
methyl (2R,5R)-5-hydroxy-7-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-6-enoate
CID 24813413
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 22961358
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate (CID 46201510) is tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate is CC(C)=C[C@H](O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate?
The InChIKey is LBPYNMHPHVDLGW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)9-11(15)7-6-8-14-12(16)17-13(3,4)5/h9,11,15H,6-8H2,1-5H3,(H,14,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate?
tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate is sourced from PubChem (CID 46201510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).