1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol

C15H28O3 — CID 23560888

IUPAC1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCO2)C1
InChIInChI=1S/C15H28O3/c1-3-11-9-12(4-2)13(10-11)14(16)5-6-15-17-7-8-18-15/h11-16H,3-10H2,1-2H3
InChIKeyULFBZAKWSJUZJG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol

1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 23560888) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID23560888
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCO2)C1
InChIInChI=1S/C15H28O3/c1-3-11-9-12(4-2)13(10-11)14(16)5-6-15-17-7-8-18-15/h11-16H,3-10H2,1-2H3
InChIKeyULFBZAKWSJUZJG-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxycitronellal propyleneglycol acetal
CID 2839751
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
(1r,3r,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143308
(1r,3r,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143309
(1r,3s,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143310
(1r,3s,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143311
(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
CID 134878043
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 10267037
5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol
CID 101850531
1-(9-Pentyl-1,4-dioxaspiro[4.4]nonan-8-yl)ethanol
CID 21511366

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 23560888) is 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is CCC1CC(CC)C(C(O)CCC2OCCO2)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is ULFBZAKWSJUZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-11-9-12(4-2)13(10-11)14(16)5-6-15-17-7-8-18-15/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 23560888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).