ethane;3-methoxy-2-methylhexan-2-ol

C10H24O2 — CID 171072389

IUPACethane;3-methoxy-2-methylhexan-2-ol
SMILESCC.CCCC(OC)C(C)(C)O
InChIInChI=1S/C8H18O2.C2H6/c1-5-6-7(10-4)8(2,3)9;1-2/h7,9H,5-6H2,1-4H3;1-2H3
InChIKeyMZLYXRPODOUERV-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.60
Rot. Bonds4

About ethane;3-methoxy-2-methylhexan-2-ol

ethane;3-methoxy-2-methylhexan-2-ol (PubChem CID 171072389) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;3-methoxy-2-methylhexan-2-ol.

Molecular Properties

Compound Nameethane;3-methoxy-2-methylhexan-2-ol
PubChem CID171072389
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Nameethane;3-methoxy-2-methylhexan-2-ol
SMILESCC.CCCC(OC)C(C)(C)O
InChIInChI=1S/C8H18O2.C2H6/c1-5-6-7(10-4)8(2,3)9;1-2/h7,9H,5-6H2,1-4H3;1-2H3
InChIKeyMZLYXRPODOUERV-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4R)-4-methoxy-3-methylhexan-3-ol
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(5-hydroxy-4-methoxy-5-methylhexyl) 2-methylprop-2-enoate
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1,1,2-triethoxypentan-1-ol
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(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
2,3,5-trimethyloctan-2-ol
CID 123479971
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
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3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-2-methylhexan-2-ol?
The IUPAC name of ethane;3-methoxy-2-methylhexan-2-ol (CID 171072389) is ethane;3-methoxy-2-methylhexan-2-ol.
What is the SMILES notation for ethane;3-methoxy-2-methylhexan-2-ol?
The canonical SMILES for ethane;3-methoxy-2-methylhexan-2-ol is CC.CCCC(OC)C(C)(C)O.
What is the InChIKey of ethane;3-methoxy-2-methylhexan-2-ol?
The InChIKey is MZLYXRPODOUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C2H6/c1-5-6-7(10-4)8(2,3)9;1-2/h7,9H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;3-methoxy-2-methylhexan-2-ol?
ethane;3-methoxy-2-methylhexan-2-ol has a molecular weight of 176.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2-methylhexan-2-ol is sourced from PubChem (CID 171072389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).