(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide

C10H17O2P — CID 134999412

IUPAC(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide
SMILESC=C(C)C[P@]1(=O)CC(C)=CCCO1
InChIInChI=1S/C10H17O2P/c1-9(2)7-13(11)8-10(3)5-4-6-12-13/h5H,1,4,6-8H2,2-3H3/t13-/m1/s1
InChIKeyNKVVBQXLLKXCER-CYBMUJFWSA-N
MW200.22 g/mol
LogP3.21
Rot. Bonds2

About (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide

(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide (PubChem CID 134999412) has the molecular formula C10H17O2P and a molecular weight of 200.22 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide
PubChem CID134999412
Molecular FormulaC10H17O2P
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Name(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide
SMILESC=C(C)C[P@]1(=O)CC(C)=CCCO1
InChIInChI=1S/C10H17O2P/c1-9(2)7-13(11)8-10(3)5-4-6-12-13/h5H,1,4,6-8H2,2-3H3/t13-/m1/s1
InChIKeyNKVVBQXLLKXCER-CYBMUJFWSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
(E)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613004
(Z)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613005
(E)-3-diethoxyphosphorylpent-2-ene
CID 13613015
(E)-3-diethoxyphosphorylhex-3-ene
CID 15646571
(E)-1-diethoxyphosphoryl-2-methyloct-2-ene
CID 134895038
(Z)-1-diethoxyphosphorylhex-3-ene
CID 134980857
3-[But-3-enoxy(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
CID 135079290
5-Diethoxyphosphoryl-2-methylpent-2-ene
CID 11195358
Diethyl P-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]phosphonate
CID 11335218

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide?
The IUPAC name of (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide (CID 134999412) is (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide.
What is the SMILES notation for (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide?
The canonical SMILES for (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide is C=C(C)C[P@]1(=O)CC(C)=CCCO1.
What is the InChIKey of (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide?
The InChIKey is NKVVBQXLLKXCER-CYBMUJFWSA-N. The full InChI is InChI=1S/C10H17O2P/c1-9(2)7-13(11)8-10(3)5-4-6-12-13/h5H,1,4,6-8H2,2-3H3/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide?
(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide has a molecular weight of 200.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2λ5-oxaphosphepine 2-oxide is sourced from PubChem (CID 134999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).