(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one

C20H32O2 — CID 162883653

IUPAC(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one
SMILESCC(C)[C@@H]1CC[C@]2(C)C(=O)C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H](O)[C@@H]3[C@@H]12
InChIInChI=1S/C20H32O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-13,15-17,22H,6-10H2,1-5H3/t12-,13-,15+,16-,17-,18+,19+,20+/m0/s1
InChIKeyILFMQXQRJLIDJX-SCUWQPKTSA-N
MW304.47 g/mol
LogP4.06
Rot. Bonds1

About (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one

(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one (PubChem CID 162883653) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one.

Molecular Properties

Compound Name(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one
PubChem CID162883653
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one
SMILESCC(C)[C@@H]1CC[C@]2(C)C(=O)C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H](O)[C@@H]3[C@@H]12
InChIInChI=1S/C20H32O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-13,15-17,22H,6-10H2,1-5H3/t12-,13-,15+,16-,17-,18+,19+,20+/m0/s1
InChIKeyILFMQXQRJLIDJX-SCUWQPKTSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one?
The IUPAC name of (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one (CID 162883653) is (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one.
What is the SMILES notation for (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one?
The canonical SMILES for (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one is CC(C)[C@@H]1CC[C@]2(C)C(=O)C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H](O)[C@@H]3[C@@H]12.
What is the InChIKey of (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one?
The InChIKey is ILFMQXQRJLIDJX-SCUWQPKTSA-N. The full InChI is InChI=1S/C20H32O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-13,15-17,22H,6-10H2,1-5H3/t12-,13-,15+,16-,17-,18+,19+,20+/m0/s1.
What are the key properties of (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one?
(1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one has a molecular weight of 304.47 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6S,9R,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-7-one is sourced from PubChem (CID 162883653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).