ethyl(2-methylidenehexanoyloxy)carbamic acid

C10H17NO4 — CID 87855080

IUPACethyl(2-methylidenehexanoyloxy)carbamic acid
SMILESC=C(CCCC)C(=O)ON(CC)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-6-7-8(3)9(12)15-11(5-2)10(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyGNTYHCWNIQBBSB-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.19
Rot. Bonds5

About ethyl(2-methylidenehexanoyloxy)carbamic acid

ethyl(2-methylidenehexanoyloxy)carbamic acid (PubChem CID 87855080) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl(2-methylidenehexanoyloxy)carbamic acid.

Molecular Properties

Compound Nameethyl(2-methylidenehexanoyloxy)carbamic acid
PubChem CID87855080
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl(2-methylidenehexanoyloxy)carbamic acid
SMILESC=C(CCCC)C(=O)ON(CC)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-6-7-8(3)9(12)15-11(5-2)10(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyGNTYHCWNIQBBSB-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carboxy 2-methylidenehexanoate
CID 170167153
2-methylidenehexanoic acid;zinc
CID 174824467
methyl 2-methylidenehexanoate;2-methylprop-2-enoic acid
CID 141470082
ethane;2-methylidenehexanoic acid
CID 162072915
dimethylamino 2-methylidenepentanoate
CID 19885812
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
2-aminoethyl 2-methylidenehexanoate
CID 54444822
2-methylidenehexaneperoxoic acid;prop-1-ene
CID 174973905
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
2-methylidenehexanoyloxymethanesulfonic acid
CID 174638144
ethyl 2-methylideneicosanoate
CID 22336431
2-methylidenehexanoylazanide;terbium
CID 175783049

Frequently Asked Questions

What is the IUPAC name of ethyl(2-methylidenehexanoyloxy)carbamic acid?
The IUPAC name of ethyl(2-methylidenehexanoyloxy)carbamic acid (CID 87855080) is ethyl(2-methylidenehexanoyloxy)carbamic acid.
What is the SMILES notation for ethyl(2-methylidenehexanoyloxy)carbamic acid?
The canonical SMILES for ethyl(2-methylidenehexanoyloxy)carbamic acid is C=C(CCCC)C(=O)ON(CC)C(=O)O.
What is the InChIKey of ethyl(2-methylidenehexanoyloxy)carbamic acid?
The InChIKey is GNTYHCWNIQBBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-7-8(3)9(12)15-11(5-2)10(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl(2-methylidenehexanoyloxy)carbamic acid?
ethyl(2-methylidenehexanoyloxy)carbamic acid has a molecular weight of 215.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-methylidenehexanoyloxy)carbamic acid is sourced from PubChem (CID 87855080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).