6-methyl-1-propan-2-yloxyheptan-2-ol

C11H24O2 — CID 105122821

IUPAC6-methyl-1-propan-2-yloxyheptan-2-ol
SMILESCC(C)CCCC(O)COC(C)C
InChIInChI=1S/C11H24O2/c1-9(2)6-5-7-11(12)8-13-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeySZRYYDDDMNXBPU-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds7

About 6-methyl-1-propan-2-yloxyheptan-2-ol

6-methyl-1-propan-2-yloxyheptan-2-ol (PubChem CID 105122821) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yloxyheptan-2-ol.

Molecular Properties

Compound Name6-methyl-1-propan-2-yloxyheptan-2-ol
PubChem CID105122821
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name6-methyl-1-propan-2-yloxyheptan-2-ol
SMILESCC(C)CCCC(O)COC(C)C
InChIInChI=1S/C11H24O2/c1-9(2)6-5-7-11(12)8-13-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeySZRYYDDDMNXBPU-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yloxyhept-6-en-2-ol
CID 105102103
6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
10-methylundecane-2,6-diol
CID 88681561
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate
CID 156555309
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60635420

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yloxyheptan-2-ol?
The IUPAC name of 6-methyl-1-propan-2-yloxyheptan-2-ol (CID 105122821) is 6-methyl-1-propan-2-yloxyheptan-2-ol.
What is the SMILES notation for 6-methyl-1-propan-2-yloxyheptan-2-ol?
The canonical SMILES for 6-methyl-1-propan-2-yloxyheptan-2-ol is CC(C)CCCC(O)COC(C)C.
What is the InChIKey of 6-methyl-1-propan-2-yloxyheptan-2-ol?
The InChIKey is SZRYYDDDMNXBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)6-5-7-11(12)8-13-10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 6-methyl-1-propan-2-yloxyheptan-2-ol?
6-methyl-1-propan-2-yloxyheptan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yloxyheptan-2-ol is sourced from PubChem (CID 105122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).