(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol

C11H23O2P — CID 129128312

IUPAC(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol
SMILESC=P(C)(C)CC[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H23O2P/c1-8-7-9(11(13)10(8)12)5-6-14(2,3)4/h8-13H,2,5-7H2,1,3-4H3/t8-,9+,10+,11-/m1/s1
InChIKeyDWOCMZVZHZXPDP-VPOLOUISSA-N
MW218.28 g/mol
LogP1.46
Rot. Bonds3

About (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol

(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol (PubChem CID 129128312) has the molecular formula C11H23O2P and a molecular weight of 218.28 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol
PubChem CID129128312
Molecular FormulaC11H23O2P
Molecular Weight218.28 g/mol
Exact Mass218.14
IUPAC Name(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol
SMILESC=P(C)(C)CC[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H23O2P/c1-8-7-9(11(13)10(8)12)5-6-14(2,3)4/h8-13H,2,5-7H2,1,3-4H3/t8-,9+,10+,11-/m1/s1
InChIKeyDWOCMZVZHZXPDP-VPOLOUISSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol (CID 129128312) is (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol is C=P(C)(C)CC[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol?
The InChIKey is DWOCMZVZHZXPDP-VPOLOUISSA-N. The full InChI is InChI=1S/C11H23O2P/c1-8-7-9(11(13)10(8)12)5-6-14(2,3)4/h8-13H,2,5-7H2,1,3-4H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol has a molecular weight of 218.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 129128312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).