10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane

C23H42O3PS- — CID 58049479

IUPAC10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCC1CC1CC1CC1CC1CC1CCCCCCCCCCOP([O-])(O)=S
InChIInChI=1S/C23H43O3PS/c1-2-18-13-20(18)15-22-17-23(22)16-21-14-19(21)11-9-7-5-3-4-6-8-10-12-26-27(24,25)28/h18-23H,2-17H2,1H3,(H2,24,25,28)/p-1
InChIKeyFAYKSDWCBFMXNA-UHFFFAOYSA-M
MW429.63 g/mol
LogP6.19
Rot. Bonds17

About 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane

10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 58049479) has the molecular formula C23H42O3PS- and a molecular weight of 429.63 g/mol. Its IUPAC name is 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID58049479
Molecular FormulaC23H42O3PS-
Molecular Weight429.63 g/mol
Exact Mass429.26
IUPAC Name10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCC1CC1CC1CC1CC1CC1CCCCCCCCCCOP([O-])(O)=S
InChIInChI=1S/C23H43O3PS/c1-2-18-13-20(18)15-22-17-23(22)16-21-14-19(21)11-9-7-5-3-4-6-8-10-12-26-27(24,25)28/h18-23H,2-17H2,1H3,(H2,24,25,28)/p-1
InChIKeyFAYKSDWCBFMXNA-UHFFFAOYSA-M
XLogP6.19
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane with MolForge

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Related Compounds

dihydroxy-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]-sulfanylidene-λ5-phosphane
CID 58049507
dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
CID 58049488
hydroxy-[(E)-octadec-9-enoxy]-oxido-sulfanylidene-λ5-phosphane
CID 58049486
1-(6-cyclopropylhexyl)-2-ethylcyclopropane
CID 123193408
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 161261733
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
1-hexyl-2-undecylcyclopropane
CID 58049498
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
1,2-dioctylcyclopropane
CID 21337627
9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568

Frequently Asked Questions

What is the IUPAC name of 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane (CID 58049479) is 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane is CCC1CC1CC1CC1CC1CC1CCCCCCCCCCOP([O-])(O)=S.
What is the InChIKey of 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is FAYKSDWCBFMXNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H43O3PS/c1-2-18-13-20(18)15-22-17-23(22)16-21-14-19(21)11-9-7-5-3-4-6-8-10-12-26-27(24,25)28/h18-23H,2-17H2,1H3,(H2,24,25,28)/p-1.
What are the key properties of 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane?
10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 429.63 g/mol, XLogP of 6.19, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]decoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58049479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).