9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol

C16H28O4 — CID 560627

IUPAC9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol
SMILESCOCCOCOC1CCC23CC(O)CC2CCC13C
InChIInChI=1S/C16H28O4/c1-15-5-3-12-9-13(17)10-16(12,15)6-4-14(15)20-11-19-8-7-18-2/h12-14,17H,3-11H2,1-2H3
InChIKeyVZBNSLHXZBBZIZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.34
Rot. Bonds6

About 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol

9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol (PubChem CID 560627) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol.

Molecular Properties

Compound Name9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol
PubChem CID560627
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol
SMILESCOCCOCOC1CCC23CC(O)CC2CCC13C
InChIInChI=1S/C16H28O4/c1-15-5-3-12-9-13(17)10-16(12,15)6-4-14(15)20-11-19-8-7-18-2/h12-14,17H,3-11H2,1-2H3
InChIKeyVZBNSLHXZBBZIZ-UHFFFAOYSA-N
XLogP2.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S,3aS,3bS,6aR,7aS)-3-(2-methoxyethoxymethoxy)-3a,5,5-trimethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
CID 11077319
(3aS,3bR,6aS,7S,7aS)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-7-ol
CID 13967840
(3aS,3bS,4S,6aR,7aS)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-4-ol
CID 134906382
(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol
CID 139057879
(R)-1-((3aR,5R,6R,6aR)-3a-(2-hydroxyethyl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889759
(R)-1-((3aR,5R,6R,6aR)-3a-((S)-1-hydroxypropan-2-yl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889850
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
(1'R,2'R,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 70404466
8-[(1'R,2'R,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]octane-1,6-diol
CID 70535358
(3'aS,4'S,6'aS)-4'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 143550161
(2'S,3'aS,4'S,6'aS)-4'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 163620278
2-[(1R,3aR,6aS)-1-methoxyspiro[1,2,3,5,6,6a-hexahydropentalene-4,2'-1,3-dioxolane]-3a-yl]ethanol
CID 10014613

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol?
The IUPAC name of 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol (CID 560627) is 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol.
What is the SMILES notation for 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol?
The canonical SMILES for 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol is COCCOCOC1CCC23CC(O)CC2CCC13C.
What is the InChIKey of 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol?
The InChIKey is VZBNSLHXZBBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-15-5-3-12-9-13(17)10-16(12,15)6-4-14(15)20-11-19-8-7-18-2/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol?
9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol has a molecular weight of 284.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethoxymethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-3-ol is sourced from PubChem (CID 560627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).