(2-methyloxan-4-yl)phosphane

C6H13OP — CID 156867096

IUPAC(2-methyloxan-4-yl)phosphane
SMILESCC1CC(P)CCO1
InChIInChI=1S/C6H13OP/c1-5-4-6(8)2-3-7-5/h5-6H,2-4,8H2,1H3
InChIKeyHVAJXYXDXSTEAJ-UHFFFAOYSA-N
MW132.14 g/mol
LogP1.43
Rot. Bonds

About (2-methyloxan-4-yl)phosphane

(2-methyloxan-4-yl)phosphane (PubChem CID 156867096) has the molecular formula C6H13OP and a molecular weight of 132.14 g/mol. Its IUPAC name is (2-methyloxan-4-yl)phosphane.

Molecular Properties

Compound Name(2-methyloxan-4-yl)phosphane
PubChem CID156867096
Molecular FormulaC6H13OP
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name(2-methyloxan-4-yl)phosphane
SMILESCC1CC(P)CCO1
InChIInChI=1S/C6H13OP/c1-5-4-6(8)2-3-7-5/h5-6H,2-4,8H2,1H3
InChIKeyHVAJXYXDXSTEAJ-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
acetylene;2,4-dimethyloxane
CID 142252938
(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
2,4-dimethyloxane;methane;methanol
CID 145467505
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
2,4-dimethyloxane;ethene;methanol
CID 145468065
4-(1-chloropropyl)-2-methyloxane
CID 79308102
2-methyloxane-4-carboxylic acid
CID 3729256

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-4-yl)phosphane?
The IUPAC name of (2-methyloxan-4-yl)phosphane (CID 156867096) is (2-methyloxan-4-yl)phosphane.
What is the SMILES notation for (2-methyloxan-4-yl)phosphane?
The canonical SMILES for (2-methyloxan-4-yl)phosphane is CC1CC(P)CCO1.
What is the InChIKey of (2-methyloxan-4-yl)phosphane?
The InChIKey is HVAJXYXDXSTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OP/c1-5-4-6(8)2-3-7-5/h5-6H,2-4,8H2,1H3.
What are the key properties of (2-methyloxan-4-yl)phosphane?
(2-methyloxan-4-yl)phosphane has a molecular weight of 132.14 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-4-yl)phosphane is sourced from PubChem (CID 156867096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).