CID 11033449

C20H34B — CID 11033449

IUPAC—
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]1[B][C@H]1[C@H]3[C@@H](CC[C@@H]1C)C3(C)C)C2(C)C
InChIInChI=1S/C20H34B/c1-11-7-9-13-15(19(13,3)4)17(11)21-18-12(2)8-10-14-16(18)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15+,16+,17+,18+/m0/s1
InChIKeyWFFAGLGDHXNZKO-OVSMWIARSA-N
MW285.30 g/mol
LogP5.67
Rot. Bonds2

About CID 11033449

CID 11033449 (PubChem CID 11033449) has the molecular formula C20H34B and a molecular weight of 285.30 g/mol.

Molecular Properties

Compound NameCID 11033449
PubChem CID11033449
Molecular FormulaC20H34B
Molecular Weight285.30 g/mol
Exact Mass285.28
IUPAC Name—
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]1[B][C@H]1[C@H]3[C@@H](CC[C@@H]1C)C3(C)C)C2(C)C
InChIInChI=1S/C20H34B/c1-11-7-9-13-15(19(13,3)4)17(11)21-18-12(2)8-10-14-16(18)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15+,16+,17+,18+/m0/s1
InChIKeyWFFAGLGDHXNZKO-OVSMWIARSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.30
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane, 3,3,6,6,9,9-hexaethyl-, cis,cis,trans-
CID 540812
prop-2-enyl-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 11034745
methoxy-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 11141614
prop-2-enyl-bis[(1R,3R,4R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]borane
CID 11244279
chloro-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 11726981
CID 13554607
CID 13554607
bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 101767111
Allyldicaranylborane
CID 129669004
CID 13554605
CID 13554605
3,7,7-Trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 23528936
3,7,7-Trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 23528937
3,7,7-Trimethyl-4-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 23528938

Frequently Asked Questions

What is the IUPAC name of CID 11033449?
The IUPAC name of CID 11033449 (CID 11033449) is not available.
What is the SMILES notation for CID 11033449?
The canonical SMILES for CID 11033449 is C[C@H]1CC[C@@H]2[C@H]([C@@H]1[B][C@H]1[C@H]3[C@@H](CC[C@@H]1C)C3(C)C)C2(C)C.
What is the InChIKey of CID 11033449?
The InChIKey is WFFAGLGDHXNZKO-OVSMWIARSA-N. The full InChI is InChI=1S/C20H34B/c1-11-7-9-13-15(19(13,3)4)17(11)21-18-12(2)8-10-14-16(18)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15+,16+,17+,18+/m0/s1.
What are the key properties of CID 11033449?
CID 11033449 has a molecular weight of 285.30 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11033449 is sourced from PubChem (CID 11033449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).