tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate

C14H25NO3 — CID 123143807

IUPACtert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate
SMILESC=CC=C(C)CC(CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-7-11(2)10-12(8-9-16)15-13(17)18-14(3,4)5/h6-7,12,16H,1,8-10H2,2-5H3,(H,15,17)
InChIKeyVZPADLXVIJUDKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.78
Rot. Bonds6

About tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate

tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate (PubChem CID 123143807) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate
PubChem CID123143807
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate
SMILESC=CC=C(C)CC(CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-7-11(2)10-12(8-9-16)15-13(17)18-14(3,4)5/h6-7,12,16H,1,8-10H2,2-5H3,(H,15,17)
InChIKeyVZPADLXVIJUDKP-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-((1S,5S)-5-hydroxycyclohex-3-en-1-yl)carbamate
CID 165453947
tert-butyl N-[(1R,5R)-5-hydroxycyclohex-3-en-1-yl]carbamate
CID 165880309
tert-butyl N-[(1S,2S)-4-fluoro-2-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 169067992
tert-butyl N-[(Z,2S)-1-hydroxyicos-5-en-2-yl]carbamate
CID 10835463
N-[6alpha-(Hydroxymethyl)-3-cyclohexene-1alpha-yl]carbamic acid tert-butyl ester
CID 101136349
tert-butyl N-[(E,2S)-3-ethyl-1-hydroxypent-3-en-2-yl]carbamate
CID 11770248
((1R,3S)-1-ethyl-3-hydroxy-pent-4-enyl)-carbamic acid tert-butyl ester
CID 15881262
tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
CID 19040175
tert-butyl N-[(E,2R,3S)-1-hydroxy-2,4-dimethylhept-4-en-3-yl]carbamate
CID 58297732
tert-butyl N-(3-ethyl-1-hydroxypent-3-en-2-yl)carbamate
CID 73094770
methyl N-[(2R,3E)-3-ethylidene-1-hydroxyhept-6-en-2-yl]carbamate
CID 88359958
tert-butyl N-[(1S,6S)-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 89640765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate (CID 123143807) is tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate is C=CC=C(C)CC(CCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate?
The InChIKey is VZPADLXVIJUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-11(2)10-12(8-9-16)15-13(17)18-14(3,4)5/h6-7,12,16H,1,8-10H2,2-5H3,(H,15,17).
What are the key properties of tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate?
tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate is sourced from PubChem (CID 123143807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).