(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane

C13H29P — CID 143524876

IUPAC(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
SMILESCCCC(C)CC(P)(CC)C(C)(C)C
InChIInChI=1S/C13H29P/c1-7-9-11(3)10-13(14,8-2)12(4,5)6/h11H,7-10,14H2,1-6H3
InChIKeyNPYYZHOJLPNZFV-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.88
Rot. Bonds5

About (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane

(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane (PubChem CID 143524876) has the molecular formula C13H29P and a molecular weight of 216.35 g/mol. Its IUPAC name is (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane.

Molecular Properties

Compound Name(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
PubChem CID143524876
Molecular FormulaC13H29P
Molecular Weight216.35 g/mol
Exact Mass216.20
IUPAC Name(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
SMILESCCCC(C)CC(P)(CC)C(C)(C)C
InChIInChI=1S/C13H29P/c1-7-9-11(3)10-13(14,8-2)12(4,5)6/h11H,7-10,14H2,1-6H3
InChIKeyNPYYZHOJLPNZFV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
N,2,3,3,5-pentamethyloctan-2-amine
CID 126735741
1,1,1-trichloro-3-methylhexane
CID 23264412
1-chloro-2,2,4-trimethylheptane
CID 66059738
1-bromo-2-(bromomethyl)-2,4-dimethylheptane
CID 79453962
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-tert-butyl-2-fluoro-4-methylheptan-1-amine
CID 112566629
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
3-ethyl-2,5-dimethyloctan-3-amine
CID 62619979
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
3,3,5,7-tetramethyldecane
CID 57491663

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane?
The IUPAC name of (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane (CID 143524876) is (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane.
What is the SMILES notation for (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane?
The canonical SMILES for (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane is CCCC(C)CC(P)(CC)C(C)(C)C.
What is the InChIKey of (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane?
The InChIKey is NPYYZHOJLPNZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P/c1-7-9-11(3)10-13(14,8-2)12(4,5)6/h11H,7-10,14H2,1-6H3.
What are the key properties of (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane?
(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane has a molecular weight of 216.35 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane is sourced from PubChem (CID 143524876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).