difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol

C17H28F2O — CID 143238985

IUPACdifluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCCCC(C)CCCC1(C)C=CC(C(O)(F)F)=CC1
InChIInChI=1S/C17H28F2O/c1-4-5-7-14(2)8-6-11-16(3)12-9-15(10-13-16)17(18,19)20/h9-10,12,14,20H,4-8,11,13H2,1-3H3
InChIKeyHDSBVIWVOQLOAR-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.46
Rot. Bonds8

About difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol

difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 143238985) has the molecular formula C17H28F2O and a molecular weight of 286.41 g/mol. Its IUPAC name is difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Namedifluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID143238985
Molecular FormulaC17H28F2O
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namedifluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCCCC(C)CCCC1(C)C=CC(C(O)(F)F)=CC1
InChIInChI=1S/C17H28F2O/c1-4-5-7-14(2)8-6-11-16(3)12-9-15(10-13-16)17(18,19)20/h9-10,12,14,20H,4-8,11,13H2,1-3H3
InChIKeyHDSBVIWVOQLOAR-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol (CID 143238985) is difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol is CCCCC(C)CCCC1(C)C=CC(C(O)(F)F)=CC1.
What is the InChIKey of difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is HDSBVIWVOQLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2O/c1-4-5-7-14(2)8-6-11-16(3)12-9-15(10-13-16)17(18,19)20/h9-10,12,14,20H,4-8,11,13H2,1-3H3.
What are the key properties of difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol?
difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 286.41 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 143238985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).