1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane

C27H30IO2P — CID 59929122

IUPAC1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane
SMILESIP(CC1CCC2(CC1)OCCO2)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30IO2P/c28-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25,26-14-8-3-9-15-26)22-23-16-18-27(19-17-23)29-20-21-30-27/h1-15,23H,16-22H2
InChIKeyIIONDGWMCQUNCA-UHFFFAOYSA-N
MW544.41 g/mol
LogP5.80
Rot. Bonds5

About 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane

1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane (PubChem CID 59929122) has the molecular formula C27H30IO2P and a molecular weight of 544.41 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane
PubChem CID59929122
Molecular FormulaC27H30IO2P
Molecular Weight544.41 g/mol
Exact Mass544.10
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane
SMILESIP(CC1CCC2(CC1)OCCO2)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30IO2P/c28-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25,26-14-8-3-9-15-26)22-23-16-18-27(19-17-23)29-20-21-30-27/h1-15,23H,16-22H2
InChIKeyIIONDGWMCQUNCA-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-1,3-dihydroisoindole;ethane
CID 91078285
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 58923764
3-phenyl-4,9,12-trioxadispiro[4.2.48.25]tetradecane
CID 57407516
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
CID 67237087
2-benzyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine
CID 67009426
(2S)-1-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 99715149
benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
CID 66761730
1,4-dioxaspiro[4.5]decan-8-ol;phenol;8-phenoxy-1,4-dioxaspiro[4.5]decane
CID 159456083

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane (CID 59929122) is 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane is IP(CC1CCC2(CC1)OCCO2)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane?
The InChIKey is IIONDGWMCQUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30IO2P/c28-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25,26-14-8-3-9-15-26)22-23-16-18-27(19-17-23)29-20-21-30-27/h1-15,23H,16-22H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane?
1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane has a molecular weight of 544.41 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-ylmethyl-iodo-triphenyl-λ5-phosphane is sourced from PubChem (CID 59929122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).