(3-methyl-2-propylpentoxy)phosphane

C9H21OP — CID 123507297

IUPAC(3-methyl-2-propylpentoxy)phosphane
SMILESCCCC(COP)C(C)CC
InChIInChI=1S/C9H21OP/c1-4-6-9(7-10-11)8(3)5-2/h8-9H,4-7,11H2,1-3H3
InChIKeyWPGGJUZCLRTFFT-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.26
Rot. Bonds6

About (3-methyl-2-propylpentoxy)phosphane

(3-methyl-2-propylpentoxy)phosphane (PubChem CID 123507297) has the molecular formula C9H21OP and a molecular weight of 176.24 g/mol. Its IUPAC name is (3-methyl-2-propylpentoxy)phosphane.

Molecular Properties

Compound Name(3-methyl-2-propylpentoxy)phosphane
PubChem CID123507297
Molecular FormulaC9H21OP
Molecular Weight176.24 g/mol
Exact Mass176.13
IUPAC Name(3-methyl-2-propylpentoxy)phosphane
SMILESCCCC(COP)C(C)CC
InChIInChI=1S/C9H21OP/c1-4-6-9(7-10-11)8(3)5-2/h8-9H,4-7,11H2,1-3H3
InChIKeyWPGGJUZCLRTFFT-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.26
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

4,5-diethyloctane
CID 519254
3,4,9-trimethyl-8-propylundecane
CID 90901381
(4R)-3-ethyl-4-methylhexane
CID 59954491
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
3,4-diethylheptane;ethane
CID 144734225
tris(3,4-diethylheptane);methane
CID 160558798
(3R)-3,4-dimethylheptane
CID 59819300
ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 143592734
3-methylheptan-4-ylphosphane
CID 178108210
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propylpentoxy)phosphane?
The IUPAC name of (3-methyl-2-propylpentoxy)phosphane (CID 123507297) is (3-methyl-2-propylpentoxy)phosphane.
What is the SMILES notation for (3-methyl-2-propylpentoxy)phosphane?
The canonical SMILES for (3-methyl-2-propylpentoxy)phosphane is CCCC(COP)C(C)CC.
What is the InChIKey of (3-methyl-2-propylpentoxy)phosphane?
The InChIKey is WPGGJUZCLRTFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21OP/c1-4-6-9(7-10-11)8(3)5-2/h8-9H,4-7,11H2,1-3H3.
What are the key properties of (3-methyl-2-propylpentoxy)phosphane?
(3-methyl-2-propylpentoxy)phosphane has a molecular weight of 176.24 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propylpentoxy)phosphane is sourced from PubChem (CID 123507297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).