(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol

C20H34O — CID 71499837

IUPAC(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
SMILESC[C@@H]1CC[C@H]2C[C@]3(C)CC[C@H]4[C@H]3[C@]1(CC[C@]4(C)O)C2(C)C
InChIInChI=1S/C20H34O/c1-13-6-7-14-12-18(4)9-8-15-16(18)20(13,17(14,2)3)11-10-19(15,5)21/h13-16,21H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20-/m1/s1
InChIKeyRLFWGQVIKYIGGM-VBXVDEENSA-N
MW290.49 g/mol
LogP5.03
Rot. Bonds

About (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol

(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol (PubChem CID 71499837) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol.

Molecular Properties

Compound Name(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
PubChem CID71499837
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
SMILESC[C@@H]1CC[C@H]2C[C@]3(C)CC[C@H]4[C@H]3[C@]1(CC[C@]4(C)O)C2(C)C
InChIInChI=1S/C20H34O/c1-13-6-7-14-12-18(4)9-8-15-16(18)20(13,17(14,2)3)11-10-19(15,5)21/h13-16,21H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20-/m1/s1
InChIKeyRLFWGQVIKYIGGM-VBXVDEENSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol?
The IUPAC name of (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol (CID 71499837) is (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol.
What is the SMILES notation for (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol?
The canonical SMILES for (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol is C[C@@H]1CC[C@H]2C[C@]3(C)CC[C@H]4[C@H]3[C@]1(CC[C@]4(C)O)C2(C)C.
What is the InChIKey of (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol?
The InChIKey is RLFWGQVIKYIGGM-VBXVDEENSA-N. The full InChI is InChI=1S/C20H34O/c1-13-6-7-14-12-18(4)9-8-15-16(18)20(13,17(14,2)3)11-10-19(15,5)21/h13-16,21H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20-/m1/s1.
What are the key properties of (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol?
(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol has a molecular weight of 290.49 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol is sourced from PubChem (CID 71499837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).