methyl 12-cyclopropyl-10-hydroxytridec-12-enoate

C17H30O3 — CID 10934911

IUPACmethyl 12-cyclopropyl-10-hydroxytridec-12-enoate
SMILESC=C(CC(O)CCCCCCCCC(=O)OC)C1CC1
InChIInChI=1S/C17H30O3/c1-14(15-11-12-15)13-16(18)9-7-5-3-4-6-8-10-17(19)20-2/h15-16,18H,1,3-13H2,2H3
InChIKeyJRUIZZUGCILRPP-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.00
Rot. Bonds12

About methyl 12-cyclopropyl-10-hydroxytridec-12-enoate

methyl 12-cyclopropyl-10-hydroxytridec-12-enoate (PubChem CID 10934911) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is methyl 12-cyclopropyl-10-hydroxytridec-12-enoate.

Molecular Properties

Compound Namemethyl 12-cyclopropyl-10-hydroxytridec-12-enoate
PubChem CID10934911
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Namemethyl 12-cyclopropyl-10-hydroxytridec-12-enoate
SMILESC=C(CC(O)CCCCCCCCC(=O)OC)C1CC1
InChIInChI=1S/C17H30O3/c1-14(15-11-12-15)13-16(18)9-7-5-3-4-6-8-10-17(19)20-2/h15-16,18H,1,3-13H2,2H3
InChIKeyJRUIZZUGCILRPP-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate
CID 7182410
1-O-ethyl 8-O-methyl (3R)-3-hydroxyoctanedioate
CID 54453835
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 11-bromo-10-hydroxyundecanoate
CID 13032690
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 18,18-dihydroxyoctadecanoate
CID 151355235

Frequently Asked Questions

What is the IUPAC name of methyl 12-cyclopropyl-10-hydroxytridec-12-enoate?
The IUPAC name of methyl 12-cyclopropyl-10-hydroxytridec-12-enoate (CID 10934911) is methyl 12-cyclopropyl-10-hydroxytridec-12-enoate.
What is the SMILES notation for methyl 12-cyclopropyl-10-hydroxytridec-12-enoate?
The canonical SMILES for methyl 12-cyclopropyl-10-hydroxytridec-12-enoate is C=C(CC(O)CCCCCCCCC(=O)OC)C1CC1.
What is the InChIKey of methyl 12-cyclopropyl-10-hydroxytridec-12-enoate?
The InChIKey is JRUIZZUGCILRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-14(15-11-12-15)13-16(18)9-7-5-3-4-6-8-10-17(19)20-2/h15-16,18H,1,3-13H2,2H3.
What are the key properties of methyl 12-cyclopropyl-10-hydroxytridec-12-enoate?
methyl 12-cyclopropyl-10-hydroxytridec-12-enoate has a molecular weight of 282.42 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-cyclopropyl-10-hydroxytridec-12-enoate is sourced from PubChem (CID 10934911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).