tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate

C13H25NO3 — CID 44605568

IUPACtert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
SMILESC=C[C@H](C[C@H](O)CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-8-11(15)9-10(7-2)14-12(16)17-13(3,4)5/h7,10-11,15H,2,6,8-9H2,1,3-5H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyDODDMFYDEPRGDW-GHMZBOCLSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate

tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate (PubChem CID 44605568) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
PubChem CID44605568
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
SMILESC=C[C@H](C[C@H](O)CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-8-11(15)9-10(7-2)14-12(16)17-13(3,4)5/h7,10-11,15H,2,6,8-9H2,1,3-5H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyDODDMFYDEPRGDW-GHMZBOCLSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]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-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
CID 87517564
tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate
CID 90058718
ethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 95898092
tert-butyl N-[(3S,4R,5S)-5-bromo-3-hydroxyoct-1-en-4-yl]carbamate
CID 23243726
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
CID 541819
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate (CID 44605568) is tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate is C=C[C@H](C[C@H](O)CCC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate?
The InChIKey is DODDMFYDEPRGDW-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-8-11(15)9-10(7-2)14-12(16)17-13(3,4)5/h7,10-11,15H,2,6,8-9H2,1,3-5H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate?
tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate is sourced from PubChem (CID 44605568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).