methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)

C21H44O2 — CID 161111254

IUPACmethane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)
SMILESC.CC(C)CC1C(C)CC1CO.CC(C)CC1C(C)CC1CO
InChIInChI=1S/2C10H20O.CH4/c2*1-7(2)4-10-8(3)5-9(10)6-11;/h2*7-11H,4-6H2,1-3H3;1H4
InChIKeyUJSKHSBBKCNZSM-UHFFFAOYSA-N
MW328.58 g/mol
LogP5.23
Rot. Bonds6

About methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)

methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol) (PubChem CID 161111254) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol).

Molecular Properties

Compound Namemethane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)
PubChem CID161111254
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Namemethane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)
SMILESC.CC(C)CC1C(C)CC1CO.CC(C)CC1C(C)CC1CO
InChIInChI=1S/2C10H20O.CH4/c2*1-7(2)4-10-8(3)5-9(10)6-11;/h2*7-11H,4-6H2,1-3H3;1H4
InChIKeyUJSKHSBBKCNZSM-UHFFFAOYSA-N
XLogP5.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methyl-2-(2-methylpropyl)cyclobutane
CID 158664832
N,N-dimethyl-1-[3-methyl-2-(2-methylpropyl)cyclobutyl]methanamine
CID 123374526
(2-ethyl-4-methylcyclobutyl)methanol
CID 123868868
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
CID 90801138
2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318
CID 58681778
CID 58681778
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
[2-(2-methylpropyl)azetidin-3-yl]methanol
CID 105428528
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502

Frequently Asked Questions

What is the IUPAC name of methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)?
The IUPAC name of methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol) (CID 161111254) is methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol).
What is the SMILES notation for methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)?
The canonical SMILES for methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol) is C.CC(C)CC1C(C)CC1CO.CC(C)CC1C(C)CC1CO.
What is the InChIKey of methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)?
The InChIKey is UJSKHSBBKCNZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O.CH4/c2*1-7(2)4-10-8(3)5-9(10)6-11;/h2*7-11H,4-6H2,1-3H3;1H4.
What are the key properties of methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)?
methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol) has a molecular weight of 328.58 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol) is sourced from PubChem (CID 161111254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).