CID 91615680

C9H13O+ — CID 91615680

IUPAC—
SMILESC=C1C[C@@H]2C[CH+]O[C@H](C1)C2
InChIInChI=1S/C9H13O/c1-7-4-8-2-3-10-9(5-7)6-8/h3,8-9H,1-2,4-6H2/q+1/t8-,9+/m0/s1
InChIKeyVMGBSXNBTXBFQG-DTWKUNHWSA-N
MW137.20 g/mol
LogP2.29
Rot. Bonds

About CID 91615680

CID 91615680 (PubChem CID 91615680) has the molecular formula C9H13O+ and a molecular weight of 137.20 g/mol.

Molecular Properties

Compound NameCID 91615680
PubChem CID91615680
Molecular FormulaC9H13O+
Molecular Weight137.20 g/mol
Exact Mass137.10
IUPAC Name—
SMILESC=C1C[C@@H]2C[CH+]O[C@H](C1)C2
InChIInChI=1S/C9H13O/c1-7-4-8-2-3-10-9(5-7)6-8/h3,8-9H,1-2,4-6H2/q+1/t8-,9+/m0/s1
InChIKeyVMGBSXNBTXBFQG-DTWKUNHWSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
2,2-Dimethyl-6-methylene-3-oxabicyclo[3.3.1]nonane
CID 14313116
(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
CID 102186272
2,6-Dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
CID 74836598
6-Butyl-5-methylidene-2-oxabicyclo[5.3.1]undecane
CID 141767598
2-Cyclohexyl-4-methylideneoxane
CID 10702530
10-Methylidene-1-oxaspiro[5.5]undecane
CID 10773381
(1R,5S)-2,6-dimethyl-8-methylene-3-oxabicyclo[3.3.1]nonane
CID 42648527
2,4-Dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
CID 85166903
6-Methyl-8-methylidene-2-propan-2-yl-3-oxabicyclo[3.3.1]nonane
CID 85719200
(1R,2R,5R,6R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
CID 98064754

Frequently Asked Questions

What is the IUPAC name of CID 91615680?
The IUPAC name of CID 91615680 (CID 91615680) is not available.
What is the SMILES notation for CID 91615680?
The canonical SMILES for CID 91615680 is C=C1C[C@@H]2C[CH+]O[C@H](C1)C2.
What is the InChIKey of CID 91615680?
The InChIKey is VMGBSXNBTXBFQG-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H13O/c1-7-4-8-2-3-10-9(5-7)6-8/h3,8-9H,1-2,4-6H2/q+1/t8-,9+/m0/s1.
What are the key properties of CID 91615680?
CID 91615680 has a molecular weight of 137.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91615680 is sourced from PubChem (CID 91615680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).