methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane

C29H33B — CID 59068008

IUPACmethyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane
SMILESCB(C1C(C)CC2c3ccccc3C=CC21)C1C2C=Cc3ccccc3C2C[C@H]1C
InChIInChI=1S/C29H33B/c1-18-16-26-22-10-6-4-8-20(22)12-14-24(26)28(18)30(3)29-19(2)17-27-23-11-7-5-9-21(23)13-15-25(27)29/h4-15,18-19,24-29H,16-17H2,1-3H3/t18-,19?,24?,25?,26?,27?,28?,29?/m1/s1
InChIKeyBJAFMGWMIPGNAB-RLHLNZTHSA-N
MW392.39 g/mol
LogP7.78
Rot. Bonds2

About methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane

methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane (PubChem CID 59068008) has the molecular formula C29H33B and a molecular weight of 392.39 g/mol. Its IUPAC name is methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane.

Molecular Properties

Compound Namemethyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane
PubChem CID59068008
Molecular FormulaC29H33B
Molecular Weight392.39 g/mol
Exact Mass392.27
IUPAC Namemethyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane
SMILESCB(C1C(C)CC2c3ccccc3C=CC21)C1C2C=Cc3ccccc3C2C[C@H]1C
InChIInChI=1S/C29H33B/c1-18-16-26-22-10-6-4-8-20(22)12-14-24(26)28(18)30(3)29-19(2)17-27-23-11-7-5-9-21(23)13-15-25(27)29/h4-15,18-19,24-29H,16-17H2,1-3H3/t18-,19?,24?,25?,26?,27?,28?,29?/m1/s1
InChIKeyBJAFMGWMIPGNAB-RLHLNZTHSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.39
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane with MolForge

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Related Compounds

9-Methylfluorene
CID 17299
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1-n-Hexadecylindan
CID 266426
1-Methyl-3-phenylindane
CID 22924
9,9'-Bifluorene
CID 137063
2-[(8-Methyl-3-bicyclo[3.2.1]oct-2-enyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 44409554
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
9H-fluorene, 9-phenyl-
CID 13091
9-Ethyl-9H-fluorene
CID 16801
9H-Fluorene, 9-(1-methylethyl)-
CID 18696
9-Propyl-9H-fluorene
CID 178017

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane?
The IUPAC name of methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane (CID 59068008) is methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane.
What is the SMILES notation for methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane?
The canonical SMILES for methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane is CB(C1C(C)CC2c3ccccc3C=CC21)C1C2C=Cc3ccccc3C2C[C@H]1C.
What is the InChIKey of methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane?
The InChIKey is BJAFMGWMIPGNAB-RLHLNZTHSA-N. The full InChI is InChI=1S/C29H33B/c1-18-16-26-22-10-6-4-8-20(22)12-14-24(26)28(18)30(3)29-19(2)17-27-23-11-7-5-9-21(23)13-15-25(27)29/h4-15,18-19,24-29H,16-17H2,1-3H3/t18-,19?,24?,25?,26?,27?,28?,29?/m1/s1.
What are the key properties of methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane?
methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane has a molecular weight of 392.39 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)borane is sourced from PubChem (CID 59068008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).