dimethyl 2-[(Z)-dec-6-enylidene]propanedioate

C15H24O4 — CID 101013837

IUPACdimethyl 2-[(Z)-dec-6-enylidene]propanedioate
SMILESCCC/C=C\CCCCC=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-4-5-6-7-8-9-10-11-12-13(14(16)18-2)15(17)19-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6-
InChIKeyUZJGASKOHSAYFD-SREVYHEPSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds9

About dimethyl 2-[(Z)-dec-6-enylidene]propanedioate

dimethyl 2-[(Z)-dec-6-enylidene]propanedioate (PubChem CID 101013837) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is dimethyl 2-[(Z)-dec-6-enylidene]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-dec-6-enylidene]propanedioate
PubChem CID101013837
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namedimethyl 2-[(Z)-dec-6-enylidene]propanedioate
SMILESCCC/C=C\CCCCC=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-4-5-6-7-8-9-10-11-12-13(14(16)18-2)15(17)19-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6-
InChIKeyUZJGASKOHSAYFD-SREVYHEPSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-acetylhex-2-enoate
CID 12838651
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl 2-methyloct-2-enoate
CID 71403822
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
methyl (E)-2-ethyldec-2-enoate
CID 25232141
methyl hexadeca-9,12-dienoate
CID 549033
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
methyl (E)-2-methylhept-2-enoate
CID 13122847
methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590
methyl (E)-2-methylhex-2-enoate
CID 5364816

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-dec-6-enylidene]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-dec-6-enylidene]propanedioate (CID 101013837) is dimethyl 2-[(Z)-dec-6-enylidene]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-dec-6-enylidene]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-dec-6-enylidene]propanedioate is CCC/C=C\CCCCC=C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-dec-6-enylidene]propanedioate?
The InChIKey is UZJGASKOHSAYFD-SREVYHEPSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-6-7-8-9-10-11-12-13(14(16)18-2)15(17)19-3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6-.
What are the key properties of dimethyl 2-[(Z)-dec-6-enylidene]propanedioate?
dimethyl 2-[(Z)-dec-6-enylidene]propanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-dec-6-enylidene]propanedioate is sourced from PubChem (CID 101013837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).