[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate

C14H25NO3 — CID 11615816

IUPAC[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate
SMILESC=C(C[C@@H](O)/C=C/CCC)[C@@H](C)OC(=O)N(C)C
InChIInChI=1S/C14H25NO3/c1-6-7-8-9-13(16)10-11(2)12(3)18-14(17)15(4)5/h8-9,12-13,16H,2,6-7,10H2,1,3-5H3/b9-8+/t12-,13+/m1/s1
InChIKeyYYSDRUANSVDJJK-VSONXHSHSA-N
MW255.36 g/mol
LogP2.74
Rot. Bonds7

About [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate

[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate (PubChem CID 11615816) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate
PubChem CID11615816
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate
SMILESC=C(C[C@@H](O)/C=C/CCC)[C@@H](C)OC(=O)N(C)C
InChIInChI=1S/C14H25NO3/c1-6-7-8-9-13(16)10-11(2)12(3)18-14(17)15(4)5/h8-9,12-13,16H,2,6-7,10H2,1,3-5H3/b9-8+/t12-,13+/m1/s1
InChIKeyYYSDRUANSVDJJK-VSONXHSHSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71379683
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CID 160517729
(5E)-nona-1,5-dien-4-ol
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(E)-3-hydroxynon-4-enoic acid
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(E)-N,N-dimethyloct-4-enamide
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1-hydroxyethyl hex-2-enoate
CID 175435147
ethyl (E)-2-(2,2-dichloroethenyl)hept-3-enoate
CID 102459005
(E)-2-ethenoxyhept-3-ene
CID 102248112
3-hydroxyundeca-4,8-dienoic acid
CID 57374118
(E)-1-methoxyhex-2-en-1-ol
CID 130131054

Frequently Asked Questions

What is the IUPAC name of [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate?
The IUPAC name of [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate (CID 11615816) is [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate is C=C(C[C@@H](O)/C=C/CCC)[C@@H](C)OC(=O)N(C)C.
What is the InChIKey of [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate?
The InChIKey is YYSDRUANSVDJJK-VSONXHSHSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-8-9-13(16)10-11(2)12(3)18-14(17)15(4)5/h8-9,12-13,16H,2,6-7,10H2,1,3-5H3/b9-8+/t12-,13+/m1/s1.
What are the key properties of [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate?
[(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,5R)-5-hydroxy-3-methylidenedec-6-en-2-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 11615816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).