[4-(2-methylbutyl)oxan-4-yl]methanol

C11H22O2 — CID 66024312

IUPAC[4-(2-methylbutyl)oxan-4-yl]methanol
SMILESCCC(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H22O2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h10,12H,3-9H2,1-2H3
InChIKeySDDAIGTXORDZKQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds4

About [4-(2-methylbutyl)oxan-4-yl]methanol

[4-(2-methylbutyl)oxan-4-yl]methanol (PubChem CID 66024312) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [4-(2-methylbutyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylbutyl)oxan-4-yl]methanol
PubChem CID66024312
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[4-(2-methylbutyl)oxan-4-yl]methanol
SMILESCCC(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H22O2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h10,12H,3-9H2,1-2H3
InChIKeySDDAIGTXORDZKQ-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115012159
CID 115012159
CID 542271
CID 542271
CID 65919175
CID 65919175
CID 165999026
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CID 21482691
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CID 142391371
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CID 59004409
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CID 67066913

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutyl)oxan-4-yl]methanol?
The IUPAC name of [4-(2-methylbutyl)oxan-4-yl]methanol (CID 66024312) is [4-(2-methylbutyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-methylbutyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-methylbutyl)oxan-4-yl]methanol is CCC(C)CC1(CO)CCOCC1.
What is the InChIKey of [4-(2-methylbutyl)oxan-4-yl]methanol?
The InChIKey is SDDAIGTXORDZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h10,12H,3-9H2,1-2H3.
What are the key properties of [4-(2-methylbutyl)oxan-4-yl]methanol?
[4-(2-methylbutyl)oxan-4-yl]methanol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutyl)oxan-4-yl]methanol is sourced from PubChem (CID 66024312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).