dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane

C20H39O3PS — CID 58049507

IUPACdihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCC1CC1CC1CC1CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C20H39O3PS/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-23-24(21,22)25/h17-20H,2-16H2,1H3,(H2,21,22,25)
InChIKeyDIZNRIOVTXISBT-UHFFFAOYSA-N
MW390.57 g/mol
LogP6.19
Rot. Bonds16

About dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane

dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane (PubChem CID 58049507) has the molecular formula C20H39O3PS and a molecular weight of 390.57 g/mol. Its IUPAC name is dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane
PubChem CID58049507
Molecular FormulaC20H39O3PS
Molecular Weight390.57 g/mol
Exact Mass390.24
IUPAC Namedihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCC1CC1CC1CC1CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C20H39O3PS/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-23-24(21,22)25/h17-20H,2-16H2,1H3,(H2,21,22,25)
InChIKeyDIZNRIOVTXISBT-UHFFFAOYSA-N
XLogP6.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
CID 58049488
10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
CID 58049479
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 88762245
1-propyl-2-undecylcyclopropane
CID 123636027
9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287

Frequently Asked Questions

What is the IUPAC name of dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane (CID 58049507) is dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane is CCCCCC1CC1CC1CC1CCCCCCCCOP(O)(O)=S.
What is the InChIKey of dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is DIZNRIOVTXISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O3PS/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-23-24(21,22)25/h17-20H,2-16H2,1H3,(H2,21,22,25).
What are the key properties of dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane?
dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 390.57 g/mol, XLogP of 6.19, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58049507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).