2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol

C23H36O — CID 134982902

IUPAC2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol
SMILESCCC1=C(CC)C2(C=CC=CC2C(O)C(C)(C)C)C(CC)=C1CC
InChIInChI=1S/C23H36O/c1-8-16-17(9-2)19(11-4)23(18(16)10-3)15-13-12-14-20(23)21(24)22(5,6)7/h12-15,20-21,24H,8-11H2,1-7H3
InChIKeyLNSHNCBZNVIEOE-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.37
Rot. Bonds5

About 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol

2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol (PubChem CID 134982902) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol
PubChem CID134982902
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol
SMILESCCC1=C(CC)C2(C=CC=CC2C(O)C(C)(C)C)C(CC)=C1CC
InChIInChI=1S/C23H36O/c1-8-16-17(9-2)19(11-4)23(18(16)10-3)15-13-12-14-20(23)21(24)22(5,6)7/h12-15,20-21,24H,8-11H2,1-7H3
InChIKeyLNSHNCBZNVIEOE-UHFFFAOYSA-N
XLogP6.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol (CID 134982902) is 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol is CCC1=C(CC)C2(C=CC=CC2C(O)C(C)(C)C)C(CC)=C1CC.
What is the InChIKey of 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol?
The InChIKey is LNSHNCBZNVIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-8-16-17(9-2)19(11-4)23(18(16)10-3)15-13-12-14-20(23)21(24)22(5,6)7/h12-15,20-21,24H,8-11H2,1-7H3.
What are the key properties of 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol?
2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol has a molecular weight of 328.54 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,2,3,4-tetraethylspiro[4.5]deca-1,3,6,8-tetraen-10-yl)propan-1-ol is sourced from PubChem (CID 134982902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).