dec-2-enoyl dec-2-enoate;styrene

C28H42O3 — CID 175333901

IUPACdec-2-enoyl dec-2-enoate;styrene
SMILESC=Cc1ccccc1.CCCCCCCC=CC(=O)OC(=O)C=CCCCCCCC
InChIInChI=1S/C20H34O3.C8H8/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h15-18H,3-14H2,1-2H3;2-7H,1H2
InChIKeyANEBWBNIEWMXFI-UHFFFAOYSA-N
MW426.64 g/mol
LogP8.22
Rot. Bonds15

About dec-2-enoyl dec-2-enoate;styrene

dec-2-enoyl dec-2-enoate;styrene (PubChem CID 175333901) has the molecular formula C28H42O3 and a molecular weight of 426.64 g/mol. Its IUPAC name is dec-2-enoyl dec-2-enoate;styrene.

Molecular Properties

Compound Namedec-2-enoyl dec-2-enoate;styrene
PubChem CID175333901
Molecular FormulaC28H42O3
Molecular Weight426.64 g/mol
Exact Mass426.31
IUPAC Namedec-2-enoyl dec-2-enoate;styrene
SMILESC=Cc1ccccc1.CCCCCCCC=CC(=O)OC(=O)C=CCCCCCCC
InChIInChI=1S/C20H34O3.C8H8/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h15-18H,3-14H2,1-2H3;2-7H,1H2
InChIKeyANEBWBNIEWMXFI-UHFFFAOYSA-N
XLogP8.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-octadec-9-enoic acid;styrene
CID 169085427
undec-2-enoyl undec-2-enoate
CID 54428963
phenyl docos-2-enoate
CID 54459055
phenyl (E)-triacont-2-enoate
CID 23321595
hept-1-ene;styrene
CID 163533806
styrene;tridecyl prop-2-enoate
CID 70120047
dibutyl but-2-enedioate;styrene
CID 70528436
hept-2-enoic acid;2-methylbut-2-enoic acid;styrene
CID 67206823
benzenesulfonyl icos-2-enoate
CID 142647317
[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
CID 58975815
docosan-11-yl prop-2-enoate;styrene
CID 175112193
butyl prop-2-enoate;hex-2-enedioic acid;styrene
CID 159185710

Frequently Asked Questions

What is the IUPAC name of dec-2-enoyl dec-2-enoate;styrene?
The IUPAC name of dec-2-enoyl dec-2-enoate;styrene (CID 175333901) is dec-2-enoyl dec-2-enoate;styrene.
What is the SMILES notation for dec-2-enoyl dec-2-enoate;styrene?
The canonical SMILES for dec-2-enoyl dec-2-enoate;styrene is C=Cc1ccccc1.CCCCCCCC=CC(=O)OC(=O)C=CCCCCCCC.
What is the InChIKey of dec-2-enoyl dec-2-enoate;styrene?
The InChIKey is ANEBWBNIEWMXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3.C8H8/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h15-18H,3-14H2,1-2H3;2-7H,1H2.
What are the key properties of dec-2-enoyl dec-2-enoate;styrene?
dec-2-enoyl dec-2-enoate;styrene has a molecular weight of 426.64 g/mol, XLogP of 8.22, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-enoyl dec-2-enoate;styrene is sourced from PubChem (CID 175333901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).