(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane

C8H13O3PS — CID 141141591

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC1C=CC=CC1(C)OP(O)(O)=S
InChIInChI=1S/C8H13O3PS/c1-7-5-3-4-6-8(7,2)11-12(9,10)13/h3-7H,1-2H3,(H2,9,10,13)
InChIKeyHDVHICACCHZHQH-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.73
Rot. Bonds2

About (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane

(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 141141591) has the molecular formula C8H13O3PS and a molecular weight of 220.23 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID141141591
Molecular FormulaC8H13O3PS
Molecular Weight220.23 g/mol
Exact Mass220.03
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC1C=CC=CC1(C)OP(O)(O)=S
InChIInChI=1S/C8H13O3PS/c1-7-5-3-4-6-8(7,2)11-12(9,10)13/h3-7H,1-2H3,(H2,9,10,13)
InChIKeyHDVHICACCHZHQH-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl) dodecyl hydrogen phosphate
CID 175269904
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
(1,6-dimethylcyclohexa-2,4-dien-1-yl) 2,2,2-trichloroacetate
CID 175877756
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl 2-methylprop-2-enoate
CID 141487824
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141081758
(1,6-dimethylcyclohexa-2,4-dien-1-yl) decanoate
CID 141493898
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
bromo 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 174689520
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 140979928

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 141141591) is (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane is CC1C=CC=CC1(C)OP(O)(O)=S.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is HDVHICACCHZHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3PS/c1-7-5-3-4-6-8(7,2)11-12(9,10)13/h3-7H,1-2H3,(H2,9,10,13).
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane?
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 220.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141141591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).