methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate

C18H32O3 — CID 11277889

IUPACmethyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate
SMILESCOC(=O)/C=C\CCCCCCCCCCC(O)C1CC1
InChIInChI=1S/C18H32O3/c1-21-18(20)13-11-9-7-5-3-2-4-6-8-10-12-17(19)16-14-15-16/h11,13,16-17,19H,2-10,12,14-15H2,1H3/b13-11-
InChIKeyAHJACCIBHBJLLB-QBFSEMIESA-N
MW296.45 g/mol
LogP4.39
Rot. Bonds13

About methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate

methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate (PubChem CID 11277889) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate
PubChem CID11277889
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Namemethyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate
SMILESCOC(=O)/C=C\CCCCCCCCCCC(O)C1CC1
InChIInChI=1S/C18H32O3/c1-21-18(20)13-11-9-7-5-3-2-4-6-8-10-12-17(19)16-14-15-16/h11,13,16-17,19H,2-10,12,14-15H2,1H3/b13-11-
InChIKeyAHJACCIBHBJLLB-QBFSEMIESA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl (E)-7-hydroxyoct-2-enoate
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methyl (2E)-octadeca-2,17-dienoate
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methyl (E,11R)-11-(oxan-2-yloxy)dodec-2-enoate
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dimethyl undec-2-enedioate
CID 71341268
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
methyl (E)-hept-2-enoate
CID 5368087
methyl (E)-7-hydroxynon-2-en-8-ynoate
CID 102270556
methyl (E)-7-[5-[(E)-7-methoxy-7-oxohept-5-enyl]-1,2,4-trioxolan-3-yl]hept-2-enoate
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CID 91319160

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate?
The IUPAC name of methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate (CID 11277889) is methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate.
What is the SMILES notation for methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate?
The canonical SMILES for methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate is COC(=O)/C=C\CCCCCCCCCCC(O)C1CC1.
What is the InChIKey of methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate?
The InChIKey is AHJACCIBHBJLLB-QBFSEMIESA-N. The full InChI is InChI=1S/C18H32O3/c1-21-18(20)13-11-9-7-5-3-2-4-6-8-10-12-17(19)16-14-15-16/h11,13,16-17,19H,2-10,12,14-15H2,1H3/b13-11-.
What are the key properties of methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate?
methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate has a molecular weight of 296.45 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-14-cyclopropyl-14-hydroxytetradec-2-enoate is sourced from PubChem (CID 11277889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).