3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol

C19H34O3 — CID 123234466

IUPAC3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol
SMILESCCC1CC2CCCCC2CC1CCCOC1CCOC1O
InChIInChI=1S/C19H34O3/c1-2-14-12-16-6-3-4-7-17(16)13-15(14)8-5-10-21-18-9-11-22-19(18)20/h14-20H,2-13H2,1H3
InChIKeyZKOITEBXPWMPQJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.13
Rot. Bonds6

About 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol

3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol (PubChem CID 123234466) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol.

Molecular Properties

Compound Name3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol
PubChem CID123234466
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol
SMILESCCC1CC2CCCCC2CC1CCCOC1CCOC1O
InChIInChI=1S/C19H34O3/c1-2-14-12-16-6-3-4-7-17(16)13-15(14)8-5-10-21-18-9-11-22-19(18)20/h14-20H,2-13H2,1H3
InChIKeyZKOITEBXPWMPQJ-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
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

(3R)-3-(methoxymethoxy)oxolan-2-ol
CID 11423676
3-pentyloxolan-2-ol
CID 13291787
2-[(2R)-3-decoxyoxolan-2-yl]ethanol
CID 145103843
2-[(2R)-3-hexoxyoxolan-2-yl]ethanol
CID 145103841
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
2-[3-[2-(3,4-diethylcyclopentyl)ethyl]pent-4-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 171629175
1,2-dibutoxycyclohexane
CID 24962665
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol?
The IUPAC name of 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol (CID 123234466) is 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol.
What is the SMILES notation for 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol?
The canonical SMILES for 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol is CCC1CC2CCCCC2CC1CCCOC1CCOC1O.
What is the InChIKey of 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol?
The InChIKey is ZKOITEBXPWMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-2-14-12-16-6-3-4-7-17(16)13-15(14)8-5-10-21-18-9-11-22-19(18)20/h14-20H,2-13H2,1H3.
What are the key properties of 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol?
3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol has a molecular weight of 310.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propoxy]oxolan-2-ol is sourced from PubChem (CID 123234466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).