1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol

C18H34O3 — CID 23399637

IUPAC1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C)(C(O)CCCCC2OCCO2)C1
InChIInChI=1S/C18H34O3/c1-4-14-12-15(5-2)18(3,13-14)16(19)8-6-7-9-17-20-10-11-21-17/h14-17,19H,4-13H2,1-3H3
InChIKeyTUVRTMUTXYOMTN-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.13
Rot. Bonds8

About 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol

1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (PubChem CID 23399637) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
PubChem CID23399637
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C)(C(O)CCCCC2OCCO2)C1
InChIInChI=1S/C18H34O3/c1-4-14-12-15(5-2)18(3,13-14)16(19)8-6-7-9-17-20-10-11-21-17/h14-17,19H,4-13H2,1-3H3
InChIKeyTUVRTMUTXYOMTN-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710084
(2R)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710088
(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
(1'R,3'aR,9'R,9'aR)-1',8',8'-trimethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7,9,9a-octahydro-1H-cyclopenta[8]annulene]-9'-ol
CID 139057880
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol
CID 101850531
octahydro-7a-methyl-1-[1-methyl-4-(2,2,4-trimethyl-1,3-dioxolan-4-yl) butyl]-1H-inden-4-ol
CID 14180908
1-Ethoxy-2-[1,2,2-tris(2-octyldodecyl)cyclopentyl]ethanol
CID 17855135
1-(2,4-Diethyl-1-methylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23399634

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The IUPAC name of 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (CID 23399637) is 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The canonical SMILES for 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is CCC1CC(CC)C(C)(C(O)CCCCC2OCCO2)C1.
What is the InChIKey of 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The InChIKey is TUVRTMUTXYOMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-4-14-12-15(5-2)18(3,13-14)16(19)8-6-7-9-17-20-10-11-21-17/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is sourced from PubChem (CID 23399637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).