(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol

C20H34O3 — CID 22297263

IUPAC(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol
SMILESCC1(C)CC[C@@H](O)[C@@]2(C)[C@H]1CCC13C[C@@](C)(CC[C@@H]12)[C@H](CO)O3
InChIInChI=1S/C20H34O3/c1-17(2)8-7-15(22)19(4)13(17)6-10-20-12-18(3,9-5-14(19)20)16(11-21)23-20/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16-,18+,19-,20?/m0/s1
InChIKeyPWCNHZBWVVQRMD-HOMCEZQUSA-N
MW322.49 g/mol
LogP3.52
Rot. Bonds1

About (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol

(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol (PubChem CID 22297263) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol.

Molecular Properties

Compound Name(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol
PubChem CID22297263
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol
SMILESCC1(C)CC[C@@H](O)[C@@]2(C)[C@H]1CCC13C[C@@](C)(CC[C@@H]12)[C@H](CO)O3
InChIInChI=1S/C20H34O3/c1-17(2)8-7-15(22)19(4)13(17)6-10-20-12-18(3,9-5-14(19)20)16(11-21)23-20/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16-,18+,19-,20?/m0/s1
InChIKeyPWCNHZBWVVQRMD-HOMCEZQUSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol?
The IUPAC name of (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol (CID 22297263) is (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol.
What is the SMILES notation for (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol?
The canonical SMILES for (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol is CC1(C)CC[C@@H](O)[C@@]2(C)[C@H]1CCC13C[C@@](C)(CC[C@@H]12)[C@H](CO)O3.
What is the InChIKey of (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol?
The InChIKey is PWCNHZBWVVQRMD-HOMCEZQUSA-N. The full InChI is InChI=1S/C20H34O3/c1-17(2)8-7-15(22)19(4)13(17)6-10-20-12-18(3,9-5-14(19)20)16(11-21)23-20/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16-,18+,19-,20?/m0/s1.
What are the key properties of (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol?
(4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol has a molecular weight of 322.49 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-ol is sourced from PubChem (CID 22297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).