(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane

C17H30O2 — CID 135028450

IUPAC(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
SMILESC1CCCCCC2COC3(CCCCC1)CC[C@H]2O3
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-15-14-18-17(12-9-7-5-3-1)13-11-16(15)19-17/h15-16H,1-14H2/t15?,16-,17?/m1/s1
InChIKeyVKLYJRJYBMMOLX-AQFXKWCLSA-N
MW266.42 g/mol
LogP4.81
Rot. Bonds

About (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane

(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane (PubChem CID 135028450) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane.

Molecular Properties

Compound Name(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
PubChem CID135028450
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
SMILESC1CCCCCC2COC3(CCCCC1)CC[C@H]2O3
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-15-14-18-17(12-9-7-5-3-1)13-11-16(15)19-17/h15-16H,1-14H2/t15?,16-,17?/m1/s1
InChIKeyVKLYJRJYBMMOLX-AQFXKWCLSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
CID 10443702
2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
CID 138402066
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454
(3S)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2-dimethyl-1,2-oxazolidin-2-ium
CID 139206681
(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135038138
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol
CID 101424166
spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 172725253
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338

Frequently Asked Questions

What is the IUPAC name of (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane?
The IUPAC name of (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane (CID 135028450) is (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane.
What is the SMILES notation for (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane?
The canonical SMILES for (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane is C1CCCCCC2COC3(CCCCC1)CC[C@H]2O3.
What is the InChIKey of (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane?
The InChIKey is VKLYJRJYBMMOLX-AQFXKWCLSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-4-6-8-10-15-14-18-17(12-9-7-5-3-1)13-11-16(15)19-17/h15-16H,1-14H2/t15?,16-,17?/m1/s1.
What are the key properties of (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane?
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane has a molecular weight of 266.42 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane is sourced from PubChem (CID 135028450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).