1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol

C22H36O — CID 171643095

IUPAC1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol
SMILESCC1CC[C@@H]2C3CCC4(C)C(C5C[C@@H]5C4C(C)O)[C@@H]3CC[C@@H]2C1
InChIInChI=1S/C22H36O/c1-12-4-6-15-14(10-12)5-7-17-16(15)8-9-22(3)20(13(2)23)18-11-19(18)21(17)22/h12-21,23H,4-11H2,1-3H3/t12?,13?,14-,15+,16?,17-,18+,19?,20?,21?,22?/m1/s1
InChIKeyHYZPYDUQPVOLIV-DNAKUTQHSA-N
MW316.53 g/mol
LogP5.13
Rot. Bonds1

About 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol

1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol (PubChem CID 171643095) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol.

Molecular Properties

Compound Name1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol
PubChem CID171643095
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol
SMILESCC1CC[C@@H]2C3CCC4(C)C(C5C[C@@H]5C4C(C)O)[C@@H]3CC[C@@H]2C1
InChIInChI=1S/C22H36O/c1-12-4-6-15-14(10-12)5-7-17-16(15)8-9-22(3)20(13(2)23)18-11-19(18)21(17)22/h12-21,23H,4-11H2,1-3H3/t12?,13?,14-,15+,16?,17-,18+,19?,20?,21?,22?/m1/s1
InChIKeyHYZPYDUQPVOLIV-DNAKUTQHSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol with MolForge

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Related Compounds

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CID 163383696
2-[(1R,3R,5S,7R,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]acetaldehyde
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1-[(3S,5R,6S,7S,10R,14S,16R)-4,4-difluoro-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]-2-(4-methyltriazol-2-yl)ethanol
CID 162620352
1-[(13S)-13,15-dimethyl-3-(trifluoromethyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethanol
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CID 166839719
2-[amino(methyl)amino]-1-(3,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)ethanone
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2-bromo-1-[(16R)-3,13,16-trimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 134180028

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol?
The IUPAC name of 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol (CID 171643095) is 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol.
What is the SMILES notation for 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol?
The canonical SMILES for 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol is CC1CC[C@@H]2C3CCC4(C)C(C5C[C@@H]5C4C(C)O)[C@@H]3CC[C@@H]2C1.
What is the InChIKey of 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol?
The InChIKey is HYZPYDUQPVOLIV-DNAKUTQHSA-N. The full InChI is InChI=1S/C22H36O/c1-12-4-6-15-14(10-12)5-7-17-16(15)8-9-22(3)20(13(2)23)18-11-19(18)21(17)22/h12-21,23H,4-11H2,1-3H3/t12?,13?,14-,15+,16?,17-,18+,19?,20?,21?,22?/m1/s1.
What are the key properties of 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol?
1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol has a molecular weight of 316.53 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol is sourced from PubChem (CID 171643095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).