CID 175265599

C29H43O2Si — CID 175265599

IUPAC—
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O[Si])c(C)c(C)c2O1
InChIInChI=1S/C29H43O2Si/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(31-32)23(5)24(6)28(26)30-29/h12,14,16H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
InChIKeyHSPFTJMFWNRITH-XZXLULOTSA-N
MW451.75 g/mol
LogP8.36
Rot. Bonds10

About CID 175265599

CID 175265599 (PubChem CID 175265599) has the molecular formula C29H43O2Si and a molecular weight of 451.75 g/mol.

Molecular Properties

Compound NameCID 175265599
PubChem CID175265599
Molecular FormulaC29H43O2Si
Molecular Weight451.75 g/mol
Exact Mass451.30
IUPAC Name—
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O[Si])c(C)c(C)c2O1
InChIInChI=1S/C29H43O2Si/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(31-32)23(5)24(6)28(26)30-29/h12,14,16H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
InChIKeyHSPFTJMFWNRITH-XZXLULOTSA-N
XLogP8.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl] 2-aminoacetate;hydrochloride
CID 10164844
4-[[(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
CID 101434536
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 10049134
(2S)-2,5,6-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene-7,8-diol
CID 163193306
(2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene
CID 159207138
5-(hydroxymethyl)-2,7,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
CID 78115556
(2S)-2,5,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 93481605
(2R)-2,5,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242636
(2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
CID 162914665
2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 58662843
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 144558587
[(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
CID 163240134

Frequently Asked Questions

What is the IUPAC name of CID 175265599?
The IUPAC name of CID 175265599 (CID 175265599) is not available.
What is the SMILES notation for CID 175265599?
The canonical SMILES for CID 175265599 is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O[Si])c(C)c(C)c2O1.
What is the InChIKey of CID 175265599?
The InChIKey is HSPFTJMFWNRITH-XZXLULOTSA-N. The full InChI is InChI=1S/C29H43O2Si/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(31-32)23(5)24(6)28(26)30-29/h12,14,16H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1.
What are the key properties of CID 175265599?
CID 175265599 has a molecular weight of 451.75 g/mol, XLogP of 8.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175265599 is sourced from PubChem (CID 175265599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).