tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane

C16H34ClO2P — CID 135082549

IUPACtributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane
SMILESCCCCP(Cl)(CCCC)(CCCC)CC1OCCO1
InChIInChI=1S/C16H34ClO2P/c1-4-7-12-20(17,13-8-5-2,14-9-6-3)15-16-18-10-11-19-16/h16H,4-15H2,1-3H3
InChIKeyHRXRCTRVPYJSPQ-UHFFFAOYSA-N
MW324.87 g/mol
LogP5.47
Rot. Bonds11

About tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane

tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane (PubChem CID 135082549) has the molecular formula C16H34ClO2P and a molecular weight of 324.87 g/mol. Its IUPAC name is tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane.

Molecular Properties

Compound Nametributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane
PubChem CID135082549
Molecular FormulaC16H34ClO2P
Molecular Weight324.87 g/mol
Exact Mass324.20
IUPAC Nametributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane
SMILESCCCCP(Cl)(CCCC)(CCCC)CC1OCCO1
InChIInChI=1S/C16H34ClO2P/c1-4-7-12-20(17,13-8-5-2,14-9-6-3)15-16-18-10-11-19-16/h16H,4-15H2,1-3H3
InChIKeyHRXRCTRVPYJSPQ-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.87
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-(1,3-dioxolan-2-ylmethyl)-trioctyl-λ5-phosphane
CID 139630310
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
CID 134993517
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
propanoic acid;tetrabutyl(chloro)-λ5-phosphane
CID 175277396
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
CID 130729657
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441

Frequently Asked Questions

What is the IUPAC name of tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane?
The IUPAC name of tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane (CID 135082549) is tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane.
What is the SMILES notation for tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane?
The canonical SMILES for tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane is CCCCP(Cl)(CCCC)(CCCC)CC1OCCO1.
What is the InChIKey of tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane?
The InChIKey is HRXRCTRVPYJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClO2P/c1-4-7-12-20(17,13-8-5-2,14-9-6-3)15-16-18-10-11-19-16/h16H,4-15H2,1-3H3.
What are the key properties of tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane?
tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane has a molecular weight of 324.87 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-chloro-(1,3-dioxolan-2-ylmethyl)-λ5-phosphane is sourced from PubChem (CID 135082549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).