4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide

C11H21O3P — CID 15550797

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESC/C=C(\C)CP1(=O)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21O3P/c1-7-9(2)8-15(12)13-10(3,4)11(5,6)14-15/h7H,8H2,1-6H3/b9-7+
InChIKeyOHBKRANYRDSQIX-VQHVLOKHSA-N
MW232.26 g/mol
LogP3.75
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide

4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide (PubChem CID 15550797) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide
PubChem CID15550797
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESC/C=C(\C)CP1(=O)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21O3P/c1-7-9(2)8-15(12)13-10(3,4)11(5,6)14-15/h7H,8H2,1-6H3/b9-7+
InChIKeyOHBKRANYRDSQIX-VQHVLOKHSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59448637
CID 59448637
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-one
CID 11745556
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
CID 153403088
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
CID 70944716
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-2-enoate
CID 73025701
trichloro-[(Z)-2-methylbut-2-enyl]stannane
CID 23256470
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
CID 90784675
CID 90784675
(2Z,4Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-2,4-dienal
CID 145384665

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide (CID 15550797) is 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide is C/C=C(\C)CP1(=O)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The InChIKey is OHBKRANYRDSQIX-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21O3P/c1-7-9(2)8-15(12)13-10(3,4)11(5,6)14-15/h7H,8H2,1-6H3/b9-7+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide?
4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide has a molecular weight of 232.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-2-methylbut-2-enyl]-1,3,2lambda5-dioxaphospholane 2-oxide is sourced from PubChem (CID 15550797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).