tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate

C15H29NO3 — CID 11565283

IUPACtert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate
SMILESC=C[C@@H](C)[C@H](CCC(C)(C)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-8-11(2)12(9-10-15(6,7)18)16-13(17)19-14(3,4)5/h8,11-12,18H,1,9-10H2,2-7H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyINAREYOJMOUREF-NEPJUHHUSA-N
MW271.40 g/mol
LogP3.25
Rot. Bonds6

About tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate

tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate (PubChem CID 11565283) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate
PubChem CID11565283
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate
SMILESC=C[C@@H](C)[C@H](CCC(C)(C)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-8-11(2)12(9-10-15(6,7)18)16-13(17)19-14(3,4)5/h8,11-12,18H,1,9-10H2,2-7H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyINAREYOJMOUREF-NEPJUHHUSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 130664858
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tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
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tert-butyl N-[(2S,3S)-1-(dimethylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 10777488
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
tert-butyl N-[(2S,3R)-3-hydroxy-3-methylhex-5-en-2-yl]carbamate
CID 58522437
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
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tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enoic acid
CID 146629748
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate (CID 11565283) is tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate is C=C[C@@H](C)[C@H](CCC(C)(C)O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate?
The InChIKey is INAREYOJMOUREF-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H29NO3/c1-8-11(2)12(9-10-15(6,7)18)16-13(17)19-14(3,4)5/h8,11-12,18H,1,9-10H2,2-7H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate?
tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-7-hydroxy-3,7-dimethyloct-1-en-4-yl]carbamate is sourced from PubChem (CID 11565283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).