methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate

C29H50O2 — CID 163001014

IUPACmethyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate
SMILESCCCCCCCC/C=C\CCCCCC[C@@H]1CC1=CCC/C=C\CCCC(=O)OC
InChIInChI=1S/C29H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-26-28(27)24-21-18-15-16-19-22-25-29(30)31-2/h10-11,15-16,24,27H,3-9,12-14,17-23,25-26H2,1-2H3/b11-10-,16-15-,28-24?/t27-/m1/s1
InChIKeyHCWIXAXJEZSZPL-LVSVZNFMSA-N
MW430.72 g/mol
LogP9.26
Rot. Bonds21

About methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate

methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate (PubChem CID 163001014) has the molecular formula C29H50O2 and a molecular weight of 430.72 g/mol. Its IUPAC name is methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate
PubChem CID163001014
Molecular FormulaC29H50O2
Molecular Weight430.72 g/mol
Exact Mass430.38
IUPAC Namemethyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate
SMILESCCCCCCCC/C=C\CCCCCC[C@@H]1CC1=CCC/C=C\CCCC(=O)OC
InChIInChI=1S/C29H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-26-28(27)24-21-18-15-16-19-22-25-29(30)31-2/h10-11,15-16,24,27H,3-9,12-14,17-23,25-26H2,1-2H3/b11-10-,16-15-,28-24?/t27-/m1/s1
InChIKeyHCWIXAXJEZSZPL-LVSVZNFMSA-N
XLogP9.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate with MolForge

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Related Compounds

methyl dodec-5-enoate
CID 86010951
methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate
CID 10043374
methyl (Z)-undec-5-enoate
CID 11469683
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate?
The IUPAC name of methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate (CID 163001014) is methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate.
What is the SMILES notation for methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate?
The canonical SMILES for methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate is CCCCCCCC/C=C\CCCCCC[C@@H]1CC1=CCC/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate?
The InChIKey is HCWIXAXJEZSZPL-LVSVZNFMSA-N. The full InChI is InChI=1S/C29H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-26-28(27)24-21-18-15-16-19-22-25-29(30)31-2/h10-11,15-16,24,27H,3-9,12-14,17-23,25-26H2,1-2H3/b11-10-,16-15-,28-24?/t27-/m1/s1.
What are the key properties of methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate?
methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate has a molecular weight of 430.72 g/mol, XLogP of 9.26, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate is sourced from PubChem (CID 163001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).