[(2Z)-2-decan-2-ylidenedodecyl]benzene

C28H48 — CID 91256023

IUPAC[(2Z)-2-decan-2-ylidenedodecyl]benzene
SMILESCCCCCCCCCC/C(Cc1ccccc1)=C(\C)CCCCCCCC
InChIInChI=1S/C28H48/c1-4-6-8-10-12-13-15-20-24-28(25-27-22-18-16-19-23-27)26(3)21-17-14-11-9-7-5-2/h16,18-19,22-23H,4-15,17,20-21,24-25H2,1-3H3/b28-26-
InChIKeyZXSSVXXDPGKQLP-SGEDCAFJSA-N
MW384.69 g/mol
LogP9.83
Rot. Bonds18

About [(2Z)-2-decan-2-ylidenedodecyl]benzene

[(2Z)-2-decan-2-ylidenedodecyl]benzene (PubChem CID 91256023) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is [(2Z)-2-decan-2-ylidenedodecyl]benzene.

Molecular Properties

Compound Name[(2Z)-2-decan-2-ylidenedodecyl]benzene
PubChem CID91256023
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name[(2Z)-2-decan-2-ylidenedodecyl]benzene
SMILESCCCCCCCCCC/C(Cc1ccccc1)=C(\C)CCCCCCCC
InChIInChI=1S/C28H48/c1-4-6-8-10-12-13-15-20-24-28(25-27-22-18-16-19-23-27)26(3)21-17-14-11-9-7-5-2/h16,18-19,22-23H,4-15,17,20-21,24-25H2,1-3H3/b28-26-
InChIKeyZXSSVXXDPGKQLP-SGEDCAFJSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-phenylheptadecan-2-one
CID 12920609
3-benzyl-2-methylhept-2-enamide
CID 174958499
N-(2-phenylacetyl)octadecanamide
CID 175258087
10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
[(2Z)-2-(methoxymethylidene)decyl]benzene
CID 91807526
hexylbenzene;hydrogen peroxide
CID 90001206
amino 3-benzyl-2-(2-methylbutan-2-yl)pentadec-2-enoate
CID 54442070
hexakis(decane);ethylbenzene
CID 173398562
[(E)-2-methylundec-1-enyl] 2-phenylacetate
CID 70223383

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-decan-2-ylidenedodecyl]benzene?
The IUPAC name of [(2Z)-2-decan-2-ylidenedodecyl]benzene (CID 91256023) is [(2Z)-2-decan-2-ylidenedodecyl]benzene.
What is the SMILES notation for [(2Z)-2-decan-2-ylidenedodecyl]benzene?
The canonical SMILES for [(2Z)-2-decan-2-ylidenedodecyl]benzene is CCCCCCCCCC/C(Cc1ccccc1)=C(\C)CCCCCCCC.
What is the InChIKey of [(2Z)-2-decan-2-ylidenedodecyl]benzene?
The InChIKey is ZXSSVXXDPGKQLP-SGEDCAFJSA-N. The full InChI is InChI=1S/C28H48/c1-4-6-8-10-12-13-15-20-24-28(25-27-22-18-16-19-23-27)26(3)21-17-14-11-9-7-5-2/h16,18-19,22-23H,4-15,17,20-21,24-25H2,1-3H3/b28-26-.
What are the key properties of [(2Z)-2-decan-2-ylidenedodecyl]benzene?
[(2Z)-2-decan-2-ylidenedodecyl]benzene has a molecular weight of 384.69 g/mol, XLogP of 9.83, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-decan-2-ylidenedodecyl]benzene is sourced from PubChem (CID 91256023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).