[(E)-oct-2-enyl] carbamate

C9H17NO2 — CID 87240762

IUPAC[(E)-oct-2-enyl] carbamate
SMILESCCCCC/C=C/COC(N)=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h6-7H,2-5,8H2,1H3,(H2,10,11)/b7-6+
InChIKeyLRPYUIRFKLQWHH-VOTSOKGWSA-N
MW171.24 g/mol
LogP2.22
Rot. Bonds6

About [(E)-oct-2-enyl] carbamate

[(E)-oct-2-enyl] carbamate (PubChem CID 87240762) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(E)-oct-2-enyl] carbamate.

Molecular Properties

Compound Name[(E)-oct-2-enyl] carbamate
PubChem CID87240762
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(E)-oct-2-enyl] carbamate
SMILESCCCCC/C=C/COC(N)=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h6-7H,2-5,8H2,1H3,(H2,10,11)/b7-6+
InChIKeyLRPYUIRFKLQWHH-VOTSOKGWSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(E)-dec-2-enyl] butanoate
CID 91749795
dec-2-enyl dec-2-enoate
CID 74409769
[(Z)-non-2-enyl] decanoate
CID 88564768
6-carbamoyloxyhex-4-enyl carbamate
CID 174801317
[(Z)-oct-2-enyl] 3-methylbutanoate
CID 164813997
1-O-ethyl 4-O-[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91713017
acetic acid;(Z)-tetradec-5-ene;[(Z)-tetradec-9-enyl] carbamate
CID 174912776

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-2-enyl] carbamate?
The IUPAC name of [(E)-oct-2-enyl] carbamate (CID 87240762) is [(E)-oct-2-enyl] carbamate.
What is the SMILES notation for [(E)-oct-2-enyl] carbamate?
The canonical SMILES for [(E)-oct-2-enyl] carbamate is CCCCC/C=C/COC(N)=O.
What is the InChIKey of [(E)-oct-2-enyl] carbamate?
The InChIKey is LRPYUIRFKLQWHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h6-7H,2-5,8H2,1H3,(H2,10,11)/b7-6+.
What are the key properties of [(E)-oct-2-enyl] carbamate?
[(E)-oct-2-enyl] carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-2-enyl] carbamate is sourced from PubChem (CID 87240762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).