[(3S)-5-methylhex-1-en-3-yl] carbamate

C8H15NO2 — CID 160680423

IUPAC[(3S)-5-methylhex-1-en-3-yl] carbamate
SMILESC=C[C@H](CC(C)C)OC(N)=O
InChIInChI=1S/C8H15NO2/c1-4-7(5-6(2)3)11-8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)/t7-/m1/s1
InChIKeyROBMFFFDSZRIDI-SSDOTTSWSA-N
MW157.21 g/mol
LogP1.68
Rot. Bonds4

About [(3S)-5-methylhex-1-en-3-yl] carbamate

[(3S)-5-methylhex-1-en-3-yl] carbamate (PubChem CID 160680423) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3S)-5-methylhex-1-en-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-5-methylhex-1-en-3-yl] carbamate
PubChem CID160680423
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3S)-5-methylhex-1-en-3-yl] carbamate
SMILESC=C[C@H](CC(C)C)OC(N)=O
InChIInChI=1S/C8H15NO2/c1-4-7(5-6(2)3)11-8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)/t7-/m1/s1
InChIKeyROBMFFFDSZRIDI-SSDOTTSWSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methylhex-1-en-3-yl 2,2-dichloroacetate
CID 102323553
methyl [(3S)-5-methylhex-1-en-3-yl] carbonate
CID 102073385
penta-1,4-dien-3-yl carbamate
CID 55284689
methyl 2-ethenyl-4-methylpentanoate
CID 143585264
(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate
CID 143520251
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
3,3-dimethylbutan-2-yl carbamate;prop-2-enoic acid
CID 175114624
bis(4,6-dimethylhept-1-en-3-yl) (E)-but-2-enedioate
CID 88674381
methyl [(3S)-6-methylhept-1-en-3-yl] carbonate
CID 102073386
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-methylhex-1-en-3-yl] carbamate?
The IUPAC name of [(3S)-5-methylhex-1-en-3-yl] carbamate (CID 160680423) is [(3S)-5-methylhex-1-en-3-yl] carbamate.
What is the SMILES notation for [(3S)-5-methylhex-1-en-3-yl] carbamate?
The canonical SMILES for [(3S)-5-methylhex-1-en-3-yl] carbamate is C=C[C@H](CC(C)C)OC(N)=O.
What is the InChIKey of [(3S)-5-methylhex-1-en-3-yl] carbamate?
The InChIKey is ROBMFFFDSZRIDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(5-6(2)3)11-8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)/t7-/m1/s1.
What are the key properties of [(3S)-5-methylhex-1-en-3-yl] carbamate?
[(3S)-5-methylhex-1-en-3-yl] carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-methylhex-1-en-3-yl] carbamate is sourced from PubChem (CID 160680423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).