5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol

C20H33BrO2 — CID 75182968

IUPAC5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol
SMILESCC(C)C1C2CC3C4C(C)(O)CCC(Br)C4(C)CCC31CC2O
InChIInChI=1S/C20H33BrO2/c1-11(2)16-12-9-13-17-18(3,15(21)5-6-19(17,4)23)7-8-20(13,16)10-14(12)22/h11-17,22-23H,5-10H2,1-4H3
InChIKeyDUDYIHSAQAOWKR-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.37
Rot. Bonds1

About 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol

5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol (PubChem CID 75182968) has the molecular formula C20H33BrO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol.

Molecular Properties

Compound Name5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol
PubChem CID75182968
Molecular FormulaC20H33BrO2
Molecular Weight385.39 g/mol
Exact Mass384.17
IUPAC Name5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol
SMILESCC(C)C1C2CC3C4C(C)(O)CCC(Br)C4(C)CCC31CC2O
InChIInChI=1S/C20H33BrO2/c1-11(2)16-12-9-13-17-18(3,15(21)5-6-19(17,4)23)7-8-20(13,16)10-14(12)22/h11-17,22-23H,5-10H2,1-4H3
InChIKeyDUDYIHSAQAOWKR-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,5S,8R,9S,10S,12S,13S,14S)-5-bromo-4,8-dimethyl-14-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol
CID 46216819
(1S,4R,4aS,4bS,5S,8R,8aS,10aS)-1-bromo-8a-(bromomethyl)-4,10a-dimethyl-8-propan-2-yl-2,3,4a,4b,5,8,9,10-octahydro-1H-phenanthrene-4,5-diol
CID 46231391
(1R,4S,4aS,8R,8aS)-4-bromo-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 23425306
(3R,3aS,4R,7S,7aS)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
CID 163005938
(3S,3aS,4R,7S,7aS)-7-bromo-3-(hydroxymethyl)-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
CID 23247389
(3R,4R,7S,7aS)-7-bromo-3-[(1R)-1-hydroxy-2-methylprop-2-enyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
CID 23424667
(1R,1aR,1bR,2S,5R,5aR,6aR)-2,5a-dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol
CID 15828236
(1R,1aS,1bR,2R,5S,5aR,6aR)-2,5a-dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol
CID 98049942
(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol
CID 162885712
(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol
CID 6711372
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
(1S,4S,4aR,7R,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
CID 44566715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol?
The IUPAC name of 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol (CID 75182968) is 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol.
What is the SMILES notation for 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol?
The canonical SMILES for 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol is CC(C)C1C2CC3C4C(C)(O)CCC(Br)C4(C)CCC31CC2O.
What is the InChIKey of 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol?
The InChIKey is DUDYIHSAQAOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BrO2/c1-11(2)16-12-9-13-17-18(3,15(21)5-6-19(17,4)23)7-8-20(13,16)10-14(12)22/h11-17,22-23H,5-10H2,1-4H3.
What are the key properties of 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol?
5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol has a molecular weight of 385.39 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol is sourced from PubChem (CID 75182968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).