2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate

C30H51O10P — CID 90186256

IUPAC2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)OP(=O)(OC(CCCC)COC(=O)C(=C)C)OC(CCCC)COC(=O)C(=C)C
InChIInChI=1S/C30H51O10P/c1-10-13-16-25(19-35-28(31)22(4)5)38-41(34,39-26(17-14-11-2)20-36-29(32)23(6)7)40-27(18-15-12-3)21-37-30(33)24(8)9/h25-27H,4,6,8,10-21H2,1-3,5,7,9H3
InChIKeyZRDCVBRSAZGMKW-UHFFFAOYSA-N
MW602.70 g/mol
LogP7.18
Rot. Bonds24

About 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate

2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate (PubChem CID 90186256) has the molecular formula C30H51O10P and a molecular weight of 602.70 g/mol. Its IUPAC name is 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate
PubChem CID90186256
Molecular FormulaC30H51O10P
Molecular Weight602.70 g/mol
Exact Mass602.32
IUPAC Name2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)OP(=O)(OC(CCCC)COC(=O)C(=C)C)OC(CCCC)COC(=O)C(=C)C
InChIInChI=1S/C30H51O10P/c1-10-13-16-25(19-35-28(31)22(4)5)38-41(34,39-26(17-14-11-2)20-36-29(32)23(6)7)40-27(18-15-12-3)21-37-30(33)24(8)9/h25-27H,4,6,8,10-21H2,1-3,5,7,9H3
InChIKeyZRDCVBRSAZGMKW-UHFFFAOYSA-N
XLogP7.18
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-phosphonooxypentyl 2-methylprop-2-enoate
CID 170162383
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
[2-bis[[3-butoxy-1-(2-methylprop-2-enoyloxy)butan-2-yl]oxy]phosphoryloxy-3-butoxybutyl] 2-methylprop-2-enoate
CID 90186251
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
4-phosphonooxynonyl 2-methylprop-2-enoate
CID 158195608
5-phosphonooxytetradecyl 2-methylprop-2-enoate
CID 141087689
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-[bis(2-ethylhexoxy)phosphoryloxy]ethyl 2-methylprop-2-enoate
CID 139937953
2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
CID 19391086
undecan-5-yl 2-methylprop-2-enoate
CID 87158130

Frequently Asked Questions

What is the IUPAC name of 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate?
The IUPAC name of 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate (CID 90186256) is 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCC)OP(=O)(OC(CCCC)COC(=O)C(=C)C)OC(CCCC)COC(=O)C(=C)C.
What is the InChIKey of 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate?
The InChIKey is ZRDCVBRSAZGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51O10P/c1-10-13-16-25(19-35-28(31)22(4)5)38-41(34,39-26(17-14-11-2)20-36-29(32)23(6)7)40-27(18-15-12-3)21-37-30(33)24(8)9/h25-27H,4,6,8,10-21H2,1-3,5,7,9H3.
What are the key properties of 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate?
2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate has a molecular weight of 602.70 g/mol, XLogP of 7.18, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 90186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).