deca-1,9-diene;ethyl carbamate

C13H25NO2 — CID 158614970

IUPACdeca-1,9-diene;ethyl carbamate
SMILESC=CCCCCCCC=C.CCOC(N)=O
InChIInChI=1S/C10H18.C3H7NO2/c1-3-5-7-9-10-8-6-4-2;1-2-6-3(4)5/h3-4H,1-2,5-10H2;2H2,1H3,(H2,4,5)
InChIKeyHXGYAXNQSQVVPF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.80
Rot. Bonds8

About deca-1,9-diene;ethyl carbamate

deca-1,9-diene;ethyl carbamate (PubChem CID 158614970) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is deca-1,9-diene;ethyl carbamate.

Molecular Properties

Compound Namedeca-1,9-diene;ethyl carbamate
PubChem CID158614970
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namedeca-1,9-diene;ethyl carbamate
SMILESC=CCCCCCCC=C.CCOC(N)=O
InChIInChI=1S/C10H18.C3H7NO2/c1-3-5-7-9-10-8-6-4-2;1-2-6-3(4)5/h3-4H,1-2,5-10H2;2H2,1H3,(H2,4,5)
InChIKeyHXGYAXNQSQVVPF-UHFFFAOYSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.80
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

ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl hept-6-enoate
CID 560341
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
ethyl hex-5-enyl carbonate
CID 45140691
ethyl 3-oxodec-9-enoate
CID 10036105
ethyl 2-hept-6-enoxyacetate
CID 131980625
azane;ethyl carbamate;prop-2-enoic acid
CID 172762605
ethyl (3E)-2,2-dihydroxytetracosa-3,23-dienoate
CID 71777473
nonadec-18-enamide
CID 166991988
ethyl carbamate;hexane-1,6-diamine
CID 161407066

Frequently Asked Questions

What is the IUPAC name of deca-1,9-diene;ethyl carbamate?
The IUPAC name of deca-1,9-diene;ethyl carbamate (CID 158614970) is deca-1,9-diene;ethyl carbamate.
What is the SMILES notation for deca-1,9-diene;ethyl carbamate?
The canonical SMILES for deca-1,9-diene;ethyl carbamate is C=CCCCCCCC=C.CCOC(N)=O.
What is the InChIKey of deca-1,9-diene;ethyl carbamate?
The InChIKey is HXGYAXNQSQVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C3H7NO2/c1-3-5-7-9-10-8-6-4-2;1-2-6-3(4)5/h3-4H,1-2,5-10H2;2H2,1H3,(H2,4,5).
What are the key properties of deca-1,9-diene;ethyl carbamate?
deca-1,9-diene;ethyl carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-diene;ethyl carbamate is sourced from PubChem (CID 158614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).