CID 146163985

C20H33+ — CID 146163985

IUPAC—
SMILESC/C1=C\CC2CC[C@@H](C)[C@](C)(CC/C(C)=C/CC1)[C+]2C
InChIInChI=1S/C20H33/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17,19H,6-7,10-14H2,1-5H3/q+1/b15-9+,16-8+/t17-,19?,20+/m1/s1
InChIKeyOWMZMCAGJKWRDG-GJXMDAQGSA-N
MW273.48 g/mol
LogP6.49
Rot. Bonds

About CID 146163985

CID 146163985 (PubChem CID 146163985) has the molecular formula C20H33+ and a molecular weight of 273.48 g/mol.

Molecular Properties

Compound NameCID 146163985
PubChem CID146163985
Molecular FormulaC20H33+
Molecular Weight273.48 g/mol
Exact Mass273.26
IUPAC Name—
SMILESC/C1=C\CC2CC[C@@H](C)[C@](C)(CC/C(C)=C/CC1)[C+]2C
InChIInChI=1S/C20H33/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17,19H,6-7,10-14H2,1-5H3/q+1/b15-9+,16-8+/t17-,19?,20+/m1/s1
InChIKeyOWMZMCAGJKWRDG-GJXMDAQGSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene
CID 162855730
(1R,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
CID 91458889
(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
CID 164665810
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
CID 140996280
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
(4E,8E,11S,12R)-4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),4,8-triene
CID 11334785
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223

Frequently Asked Questions

What is the IUPAC name of CID 146163985?
The IUPAC name of CID 146163985 (CID 146163985) is not available.
What is the SMILES notation for CID 146163985?
The canonical SMILES for CID 146163985 is C/C1=C\CC2CC[C@@H](C)[C@](C)(CC/C(C)=C/CC1)[C+]2C.
What is the InChIKey of CID 146163985?
The InChIKey is OWMZMCAGJKWRDG-GJXMDAQGSA-N. The full InChI is InChI=1S/C20H33/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17,19H,6-7,10-14H2,1-5H3/q+1/b15-9+,16-8+/t17-,19?,20+/m1/s1.
What are the key properties of CID 146163985?
CID 146163985 has a molecular weight of 273.48 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146163985 is sourced from PubChem (CID 146163985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).