(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol

C20H34O — CID 7002179

IUPAC(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](O)[C@]3(C)CC[C@]21C3
InChIInChI=1S/C20H34O/c1-16(2)8-6-9-18(4)14(16)7-10-19(5)15(21)17(3)11-12-20(18,19)13-17/h14-15,21H,6-13H2,1-5H3/t14-,15-,17+,18-,19-,20-/m0/s1
InChIKeyBLLVZMLLNFFOKV-GECNCUIPSA-N
MW290.49 g/mol
LogP5.17
Rot. Bonds

About (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol

(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol (PubChem CID 7002179) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol.

Molecular Properties

Compound Name(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol
PubChem CID7002179
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](O)[C@]3(C)CC[C@]21C3
InChIInChI=1S/C20H34O/c1-16(2)8-6-9-18(4)14(16)7-10-19(5)15(21)17(3)11-12-20(18,19)13-17/h14-15,21H,6-13H2,1-5H3/t14-,15-,17+,18-,19-,20-/m0/s1
InChIKeyBLLVZMLLNFFOKV-GECNCUIPSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol?
The IUPAC name of (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol (CID 7002179) is (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol.
What is the SMILES notation for (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol?
The canonical SMILES for (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol is CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](O)[C@]3(C)CC[C@]21C3.
What is the InChIKey of (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol?
The InChIKey is BLLVZMLLNFFOKV-GECNCUIPSA-N. The full InChI is InChI=1S/C20H34O/c1-16(2)8-6-9-18(4)14(16)7-10-19(5)15(21)17(3)11-12-20(18,19)13-17/h14-15,21H,6-13H2,1-5H3/t14-,15-,17+,18-,19-,20-/m0/s1.
What are the key properties of (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol?
(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol has a molecular weight of 290.49 g/mol, XLogP of 5.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol is sourced from PubChem (CID 7002179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).