(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol

C19H20O — CID 10515770

IUPAC(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol
SMILESC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H](C)C1O
InChIInChI=1S/C19H20O/c1-11-17-13-7-3-5-9-15(13)18(12(2)19(11)20)16-10-6-4-8-14(16)17/h3-12,17-20H,1-2H3/t11-,12+,17?,18?,19?
InChIKeyKAESRWOKUBLDPC-FHZQIHQYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds

About (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol

(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol (PubChem CID 10515770) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol.

Molecular Properties

Compound Name(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol
PubChem CID10515770
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol
SMILESC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H](C)C1O
InChIInChI=1S/C19H20O/c1-11-17-13-7-3-5-9-15(13)18(12(2)19(11)20)16-10-6-4-8-14(16)17/h3-12,17-20H,1-2H3/t11-,12+,17?,18?,19?
InChIKeyKAESRWOKUBLDPC-FHZQIHQYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol with MolForge

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Related Compounds

(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
CID 129387695
(15R,16S)-15-(bromomethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 95564443
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
(1R,8R,15S,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-3,6,15,16-tetrol
CID 125496010
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
phenyl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879243
(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol
CID 57387958
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006

Frequently Asked Questions

What is the IUPAC name of (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol?
The IUPAC name of (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol (CID 10515770) is (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol.
What is the SMILES notation for (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol?
The canonical SMILES for (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol is C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H](C)C1O.
What is the InChIKey of (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol?
The InChIKey is KAESRWOKUBLDPC-FHZQIHQYSA-N. The full InChI is InChI=1S/C19H20O/c1-11-17-13-7-3-5-9-15(13)18(12(2)19(11)20)16-10-6-4-8-14(16)17/h3-12,17-20H,1-2H3/t11-,12+,17?,18?,19?.
What are the key properties of (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol?
(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol has a molecular weight of 264.37 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol is sourced from PubChem (CID 10515770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).