5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol

C18H24O — CID 105091563

IUPAC5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
SMILESCC(C)(C)CCC(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H24O/c1-18(2,3)12-11-16(19)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16,19H,11-13H2,1-3H3
InChIKeyAYDKNPVYVKGYMS-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.57
Rot. Bonds4

About 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol

5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol (PubChem CID 105091563) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
PubChem CID105091563
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
SMILESCC(C)(C)CCC(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H24O/c1-18(2,3)12-11-16(19)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16,19H,11-13H2,1-3H3
InChIKeyAYDKNPVYVKGYMS-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822
1-naphthalen-1-ylnonan-2-ol
CID 19902465
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
CID 79086780
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
1-naphthalen-1-ylpentan-3-ol
CID 2793924
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol?
The IUPAC name of 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol (CID 105091563) is 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol.
What is the SMILES notation for 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol?
The canonical SMILES for 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol is CC(C)(C)CCC(O)Cc1cccc2ccccc12.
What is the InChIKey of 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol?
The InChIKey is AYDKNPVYVKGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-18(2,3)12-11-16(19)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16,19H,11-13H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol?
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol is sourced from PubChem (CID 105091563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).