3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]

C19H26O — CID 129105691

IUPAC3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]
SMILESC=C(C)COC1(C)c2ccccc2CC12CCCCC2
InChIInChI=1S/C19H26O/c1-15(2)14-20-18(3)17-10-6-5-9-16(17)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-14H2,2-3H3
InChIKeyICVJAHJUEKSCSS-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.00
Rot. Bonds3

About 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]

3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane] (PubChem CID 129105691) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane].

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]
PubChem CID129105691
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]
SMILESC=C(C)COC1(C)c2ccccc2CC12CCCCC2
InChIInChI=1S/C19H26O/c1-15(2)14-20-18(3)17-10-6-5-9-16(17)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-14H2,2-3H3
InChIKeyICVJAHJUEKSCSS-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]?
The IUPAC name of 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane] (CID 129105691) is 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane].
What is the SMILES notation for 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]?
The canonical SMILES for 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane] is C=C(C)COC1(C)c2ccccc2CC12CCCCC2.
What is the InChIKey of 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]?
The InChIKey is ICVJAHJUEKSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-15(2)14-20-18(3)17-10-6-5-9-16(17)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-14H2,2-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane]?
3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane] has a molecular weight of 270.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-2-enoxy)spiro[1H-indene-2,1'-cyclohexane] is sourced from PubChem (CID 129105691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).