dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane

C19H39O3PS — CID 58049488

IUPACdihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCC1CC1CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C19H39O3PS/c1-2-3-4-5-8-11-14-18-17-19(18)15-12-9-6-7-10-13-16-22-23(20,21)24/h18-19H,2-17H2,1H3,(H2,20,21,24)
InChIKeyVZCPVNLMUZGHNV-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.33
Rot. Bonds17

About dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane

dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane (PubChem CID 58049488) has the molecular formula C19H39O3PS and a molecular weight of 378.56 g/mol. Its IUPAC name is dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
PubChem CID58049488
Molecular FormulaC19H39O3PS
Molecular Weight378.56 g/mol
Exact Mass378.24
IUPAC Namedihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCC1CC1CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C19H39O3PS/c1-2-3-4-5-8-11-14-18-17-19(18)15-12-9-6-7-10-13-16-22-23(20,21)24/h18-19H,2-17H2,1H3,(H2,20,21,24)
InChIKeyVZCPVNLMUZGHNV-UHFFFAOYSA-N
XLogP6.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.33
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'}

Analyze dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane
CID 58049507
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
CID 58049479
acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 88762245
1-propyl-2-undecylcyclopropane
CID 123636027
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
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788

Frequently Asked Questions

What is the IUPAC name of dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane (CID 58049488) is dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane is CCCCCCCCC1CC1CCCCCCCCOP(O)(O)=S.
What is the InChIKey of dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is VZCPVNLMUZGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O3PS/c1-2-3-4-5-8-11-14-18-17-19(18)15-12-9-6-7-10-13-16-22-23(20,21)24/h18-19H,2-17H2,1H3,(H2,20,21,24).
What are the key properties of dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane?
dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 378.56 g/mol, XLogP of 6.33, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58049488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).