2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol

C24H36O3 — CID 57080245

IUPAC2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=C(C)CCC3(C2)OCCO3)c(O)c1
InChIInChI=1S/C24H36O3/c1-5-6-7-8-12-23(3,4)19-9-10-20(22(25)16-19)21-17-24(13-11-18(21)2)26-14-15-27-24/h9-10,16,25H,5-8,11-15,17H2,1-4H3
InChIKeyKFJADHFGELSZPO-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.34
Rot. Bonds7

About 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol

2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol (PubChem CID 57080245) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol
PubChem CID57080245
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=C(C)CCC3(C2)OCCO3)c(O)c1
InChIInChI=1S/C24H36O3/c1-5-6-7-8-12-23(3,4)19-9-10-20(22(25)16-19)21-17-24(13-11-18(21)2)26-14-15-27-24/h9-10,16,25H,5-8,11-15,17H2,1-4H3
InChIKeyKFJADHFGELSZPO-UHFFFAOYSA-N
XLogP6.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol with MolForge

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Related Compounds

5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
CID 15571562
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
2-[(1R,2R,5R)-2-ethyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 100924322
2-[(1S,2S,5R)-2-butyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 54204170
1-ethyl-3-[[2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]phenyl]methyl]urea
CID 11596397
2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788284
N-[1-[3-hydroxy-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]propyl]cyclohexyl]acetamide
CID 57262386
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788220

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol (CID 57080245) is 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc(C2=C(C)CCC3(C2)OCCO3)c(O)c1.
What is the InChIKey of 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol?
The InChIKey is KFJADHFGELSZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3/c1-5-6-7-8-12-23(3,4)19-9-10-20(22(25)16-19)21-17-24(13-11-18(21)2)26-14-15-27-24/h9-10,16,25H,5-8,11-15,17H2,1-4H3.
What are the key properties of 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol?
2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol has a molecular weight of 372.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 57080245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).