(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol

C20H34O2 — CID 90662481

IUPAC(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
SMILESC[C@]1(CO)CCC[C@@]2(C)C1CC[C@H]1C[C@@H]3C[C@]12CC[C@]3(C)O
InChIInChI=1S/C20H34O2/c1-17(13-21)7-4-8-18(2)16(17)6-5-14-11-15-12-20(14,18)10-9-19(15,3)22/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16?,17+,18-,19-,20+/m0/s1
InChIKeyYFPSFADPQXOJFU-MDQPBSSCSA-N
MW306.49 g/mol
LogP4.14
Rot. Bonds1

About (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol

(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol (PubChem CID 90662481) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol.

Molecular Properties

Compound Name(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
PubChem CID90662481
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
SMILESC[C@]1(CO)CCC[C@@]2(C)C1CC[C@H]1C[C@@H]3C[C@]12CC[C@]3(C)O
InChIInChI=1S/C20H34O2/c1-17(13-21)7-4-8-18(2)16(17)6-5-14-11-15-12-20(14,18)10-9-19(15,3)22/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16?,17+,18-,19-,20+/m0/s1
InChIKeyYFPSFADPQXOJFU-MDQPBSSCSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol?
The IUPAC name of (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol (CID 90662481) is (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol.
What is the SMILES notation for (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol?
The canonical SMILES for (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol is C[C@]1(CO)CCC[C@@]2(C)C1CC[C@H]1C[C@@H]3C[C@]12CC[C@]3(C)O.
What is the InChIKey of (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol?
The InChIKey is YFPSFADPQXOJFU-MDQPBSSCSA-N. The full InChI is InChI=1S/C20H34O2/c1-17(13-21)7-4-8-18(2)16(17)6-5-14-11-15-12-20(14,18)10-9-19(15,3)22/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16?,17+,18-,19-,20+/m0/s1.
What are the key properties of (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol?
(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol has a molecular weight of 306.49 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol is sourced from PubChem (CID 90662481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).