(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol

C20H32O3 — CID 135018782

IUPAC(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol
SMILESC=C1CC[C@H](O)[C@@]2(C)C[C@H](O)C3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C
InChIInChI=1S/C20H32O3/c1-11-6-8-13-18(23)17-12(2)7-9-15(22)20(17,5)10-14(21)16(11)19(13,3)4/h13-15,17-18,21-23H,2,6-10H2,1,3-5H3/t13-,14-,15-,17-,18+,20+/m0/s1
InChIKeyWWEXOKPRQVYFKQ-ASURLCBNSA-N
MW320.47 g/mol
LogP3.20
Rot. Bonds

About (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol

(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol (PubChem CID 135018782) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol.

Molecular Properties

Compound Name(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol
PubChem CID135018782
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol
SMILESC=C1CC[C@H](O)[C@@]2(C)C[C@H](O)C3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C
InChIInChI=1S/C20H32O3/c1-11-6-8-13-18(23)17-12(2)7-9-15(22)20(17,5)10-14(21)16(11)19(13,3)4/h13-15,17-18,21-23H,2,6-10H2,1,3-5H3/t13-,14-,15-,17-,18+,20+/m0/s1
InChIKeyWWEXOKPRQVYFKQ-ASURLCBNSA-N
XLogP3.20
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol with MolForge

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Related Compounds

(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
(1S,1aS,1bS,5R,5aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
CID 163191309
2-(1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
CID 138990134
[(1R,2R,3S,5S,8S,10S)-2-acetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
CID 102348634
(3aR,4S,5aR,6S,9aR,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 50987396
ethyl 2-[(1S,2S,4aR,5R,8aS)-1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
CID 10924365
(3S,3aR,4S,5aR,6R,9aR,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
CID 163187580
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022
(1R)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
CID 91751364
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
CID 56672124
(1S,4aR,5R,8aS)-5-[(1S)-1-hydroxy-2-methylpropyl]-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
CID 162994014

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol?
The IUPAC name of (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol (CID 135018782) is (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol.
What is the SMILES notation for (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol?
The canonical SMILES for (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol is C=C1CC[C@H](O)[C@@]2(C)C[C@H](O)C3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C.
What is the InChIKey of (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol?
The InChIKey is WWEXOKPRQVYFKQ-ASURLCBNSA-N. The full InChI is InChI=1S/C20H32O3/c1-11-6-8-13-18(23)17-12(2)7-9-15(22)20(17,5)10-14(21)16(11)19(13,3)4/h13-15,17-18,21-23H,2,6-10H2,1,3-5H3/t13-,14-,15-,17-,18+,20+/m0/s1.
What are the key properties of (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol?
(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol has a molecular weight of 320.47 g/mol, XLogP of 3.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol is sourced from PubChem (CID 135018782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).