(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol

C20H34O — CID 637210

IUPAC(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
SMILESCC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]1(C)CC[C@](C)(O)[C@@H]3C[C@@]231
InChIInChI=1S/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKeyLIXXTIXZQFXCDM-KSLKBLKXSA-N
MW290.49 g/mol
LogP5.03
Rot. Bonds1

About (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol

(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol (PubChem CID 637210) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol.

Molecular Properties

Compound Name(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
PubChem CID637210
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
SMILESCC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]1(C)CC[C@](C)(O)[C@@H]3C[C@@]231
InChIInChI=1S/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKeyLIXXTIXZQFXCDM-KSLKBLKXSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol?
The IUPAC name of (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol (CID 637210) is (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol.
What is the SMILES notation for (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol?
The canonical SMILES for (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol is CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]1(C)CC[C@](C)(O)[C@@H]3C[C@@]231.
What is the InChIKey of (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol?
The InChIKey is LIXXTIXZQFXCDM-KSLKBLKXSA-N. The full InChI is InChI=1S/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1.
What are the key properties of (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol?
(1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol has a molecular weight of 290.49 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,9S,12S,13R)-6,9,12-trimethyl-5-propan-2-yltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol is sourced from PubChem (CID 637210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).