(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol

C20H34O — CID 23254326

IUPAC(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
SMILES[2H][C@@H]1[C@H]([2H])[C@]2(C)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]13C2O
InChIInChI=1S/C20H34O/c1-17(2)8-5-9-19(4)14(17)7-11-20-13-12-18(3,16(20)21)10-6-15(19)20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16?,18-,19-,20-/m0/s1/i12D,13D/t12-,13+,14-,15+,16?,18-,19-,20-
InChIKeyJTLWKHYHRPKKSV-QJDNOQARSA-N
MW292.50 g/mol
LogP5.17
Rot. Bonds

About (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol

(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol (PubChem CID 23254326) has the molecular formula C20H34O and a molecular weight of 292.50 g/mol. Its IUPAC name is (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol.

Molecular Properties

Compound Name(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
PubChem CID23254326
Molecular FormulaC20H34O
Molecular Weight292.50 g/mol
Exact Mass292.27
IUPAC Name(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
SMILES[2H][C@@H]1[C@H]([2H])[C@]2(C)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]13C2O
InChIInChI=1S/C20H34O/c1-17(2)8-5-9-19(4)14(17)7-11-20-13-12-18(3,16(20)21)10-6-15(19)20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16?,18-,19-,20-/m0/s1/i12D,13D/t12-,13+,14-,15+,16?,18-,19-,20-
InChIKeyJTLWKHYHRPKKSV-QJDNOQARSA-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 ≤ 500292.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R,9R,10S,13S,14R,16S)-5,5,9,13-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane
CID 163016119
(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 162890936
sulfane;(4R,10S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol
CID 157284040
(1S,4R,9R,10S,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
CID 162975751
2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 14264198
(2R,4aR,4bS,8aS,10aR)-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,10a-diol
CID 53236772
(9R,12S,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-12,15-diol
CID 11551249
(1R,2S,5R,6S,11S,14R,15R,18S,19S,20S)-6,10,10,14,15,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-20-ol
CID 163040701
4,4,11b-trimethyl-6a-(methylaminomethyl)-9-(sulfanylmethyl)-1,2,3,4a,5,6,7,10,11,11a-decahydrocyclohepta[a]naphthalen-7-ol
CID 90467252
(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carbaldehyde
CID 11390781
1-ethyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 76550157
[(1R,4R,9R,10S,13R,14R,16R)-5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-14-yl]methanol
CID 163043375

Frequently Asked Questions

What is the IUPAC name of (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol?
The IUPAC name of (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol (CID 23254326) is (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol.
What is the SMILES notation for (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol?
The canonical SMILES for (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol is [2H][C@@H]1[C@H]([2H])[C@]2(C)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]13C2O.
What is the InChIKey of (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol?
The InChIKey is JTLWKHYHRPKKSV-QJDNOQARSA-N. The full InChI is InChI=1S/C20H34O/c1-17(2)8-5-9-19(4)14(17)7-11-20-13-12-18(3,16(20)21)10-6-15(19)20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16?,18-,19-,20-/m0/s1/i12D,13D/t12-,13+,14-,15+,16?,18-,19-,20-.
What are the key properties of (1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol?
(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol has a molecular weight of 292.50 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,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol is sourced from PubChem (CID 23254326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).