cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane

C15H29O2P — CID 146200737

IUPACcyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane
SMILESCCC1OC(C)(C)OC1C(C)P(C)C1CCCC1
InChIInChI=1S/C15H29O2P/c1-6-13-14(17-15(3,4)16-13)11(2)18(5)12-9-7-8-10-12/h11-14H,6-10H2,1-5H3
InChIKeyCEAJAZYFBSTKMM-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.36
Rot. Bonds4

About cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane

cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane (PubChem CID 146200737) has the molecular formula C15H29O2P and a molecular weight of 272.37 g/mol. Its IUPAC name is cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane.

Molecular Properties

Compound Namecyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane
PubChem CID146200737
Molecular FormulaC15H29O2P
Molecular Weight272.37 g/mol
Exact Mass272.19
IUPAC Namecyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane
SMILESCCC1OC(C)(C)OC1C(C)P(C)C1CCCC1
InChIInChI=1S/C15H29O2P/c1-6-13-14(17-15(3,4)16-13)11(2)18(5)12-9-7-8-10-12/h11-14H,6-10H2,1-5H3
InChIKeyCEAJAZYFBSTKMM-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.36
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

but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)
CID 161369267
ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine
CID 143992001
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
CID 149474091
[(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane
CID 162488538
2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66926207
(2S)-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 131019398
(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butan-1-ol
CID 58962259
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 11170697
(1R)-1-[(4S,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 124541778
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
propane;propan-2-ylcyclopentane
CID 91615250

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane?
The IUPAC name of cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane (CID 146200737) is cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane.
What is the SMILES notation for cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane?
The canonical SMILES for cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane is CCC1OC(C)(C)OC1C(C)P(C)C1CCCC1.
What is the InChIKey of cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane?
The InChIKey is CEAJAZYFBSTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O2P/c1-6-13-14(17-15(3,4)16-13)11(2)18(5)12-9-7-8-10-12/h11-14H,6-10H2,1-5H3.
What are the key properties of cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane?
cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane has a molecular weight of 272.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane is sourced from PubChem (CID 146200737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).