[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol

C39H74O4Si — CID 159571460

IUPAC[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
SMILESCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1CO
InChIInChI=1S/C39H74O4Si/c1-8-9-10-11-12-13-15-19-22-25-30-42-39-32-38(28-27-37(39)33-40)41-29-24-21-18-16-14-17-20-23-26-31-43-44(34(2)3,35(4)5)36(6)7/h27-28,32,34-36,40H,8-26,29-31,33H2,1-7H3
InChIKeyISCJECSWRPFKNG-UHFFFAOYSA-N
MW635.10 g/mol
LogP12.56
Rot. Bonds30

About [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol

[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol (PubChem CID 159571460) has the molecular formula C39H74O4Si and a molecular weight of 635.10 g/mol. Its IUPAC name is [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
PubChem CID159571460
Molecular FormulaC39H74O4Si
Molecular Weight635.10 g/mol
Exact Mass634.54
IUPAC Name[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
SMILESCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1CO
InChIInChI=1S/C39H74O4Si/c1-8-9-10-11-12-13-15-19-22-25-30-42-39-32-38(28-27-37(39)33-40)41-29-24-21-18-16-14-17-20-23-26-31-43-44(34(2)3,35(4)5)36(6)7/h27-28,32,34-36,40H,8-26,29-31,33H2,1-7H3
InChIKeyISCJECSWRPFKNG-UHFFFAOYSA-N
XLogP12.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.10
LogP ≤ 512.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dipentoxyphenyl)methanol
CID 54794877
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium
CID 158803684
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
(2-octoxyphenyl)methanol
CID 43128604

Frequently Asked Questions

What is the IUPAC name of [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol?
The IUPAC name of [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol (CID 159571460) is [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol.
What is the SMILES notation for [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol?
The canonical SMILES for [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol is CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1CO.
What is the InChIKey of [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol?
The InChIKey is ISCJECSWRPFKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74O4Si/c1-8-9-10-11-12-13-15-19-22-25-30-42-39-32-38(28-27-37(39)33-40)41-29-24-21-18-16-14-17-20-23-26-31-43-44(34(2)3,35(4)5)36(6)7/h27-28,32,34-36,40H,8-26,29-31,33H2,1-7H3.
What are the key properties of [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol?
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol has a molecular weight of 635.10 g/mol, XLogP of 12.56, 30 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol is sourced from PubChem (CID 159571460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).