methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene

C20H30O — CID 144559923

IUPACmethanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
SMILESCC(C)CC(c1cccc2ccccc12)C(C)(C)C.CO
InChIInChI=1S/C19H26.CH4O/c1-14(2)13-18(19(3,4)5)17-12-8-10-15-9-6-7-11-16(15)17;1-2/h6-12,14,18H,13H2,1-5H3;2H,1H3
InChIKeyLEUMVSUUSOPHSC-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.62
Rot. Bonds3

About methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene

methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene (PubChem CID 144559923) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene.

Molecular Properties

Compound Namemethanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
PubChem CID144559923
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Namemethanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
SMILESCC(C)CC(c1cccc2ccccc12)C(C)(C)C.CO
InChIInChI=1S/C19H26.CH4O/c1-14(2)13-18(19(3,4)5)17-12-8-10-15-9-6-7-11-16(15)17;1-2/h6-12,14,18H,13H2,1-5H3;2H,1H3
InChIKeyLEUMVSUUSOPHSC-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
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N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-(1-chloro-4-methylpentan-2-yl)naphthalene
CID 69413488
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
2-methyl-3-naphthalen-1-ylhexan-2-amine;hydrochloride
CID 173427115
butane;1-propan-2-ylnaphthalene
CID 157253186
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844

Frequently Asked Questions

What is the IUPAC name of methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene?
The IUPAC name of methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene (CID 144559923) is methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene.
What is the SMILES notation for methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene?
The canonical SMILES for methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene is CC(C)CC(c1cccc2ccccc12)C(C)(C)C.CO.
What is the InChIKey of methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene?
The InChIKey is LEUMVSUUSOPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26.CH4O/c1-14(2)13-18(19(3,4)5)17-12-8-10-15-9-6-7-11-16(15)17;1-2/h6-12,14,18H,13H2,1-5H3;2H,1H3.
What are the key properties of methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene?
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene has a molecular weight of 286.46 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene is sourced from PubChem (CID 144559923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).