6-methoxy-6-methyl-1-propoxyheptan-3-ol

C12H26O3 — CID 103028153

IUPAC6-methoxy-6-methyl-1-propoxyheptan-3-ol
SMILESCCCOCCC(O)CCC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-5-9-15-10-7-11(13)6-8-12(2,3)14-4/h11,13H,5-10H2,1-4H3
InChIKeyAYONXDLAVORSJJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds9

About 6-methoxy-6-methyl-1-propoxyheptan-3-ol

6-methoxy-6-methyl-1-propoxyheptan-3-ol (PubChem CID 103028153) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-methoxy-6-methyl-1-propoxyheptan-3-ol.

Molecular Properties

Compound Name6-methoxy-6-methyl-1-propoxyheptan-3-ol
PubChem CID103028153
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name6-methoxy-6-methyl-1-propoxyheptan-3-ol
SMILESCCCOCCC(O)CCC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-5-9-15-10-7-11(13)6-8-12(2,3)14-4/h11,13H,5-10H2,1-4H3
InChIKeyAYONXDLAVORSJJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
CID 103147658
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
7-methoxy-7-methyloct-1-en-4-ol
CID 103035568
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
1-propoxyoct-7-en-3-ol
CID 105102038
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-1-propoxyheptan-3-ol?
The IUPAC name of 6-methoxy-6-methyl-1-propoxyheptan-3-ol (CID 103028153) is 6-methoxy-6-methyl-1-propoxyheptan-3-ol.
What is the SMILES notation for 6-methoxy-6-methyl-1-propoxyheptan-3-ol?
The canonical SMILES for 6-methoxy-6-methyl-1-propoxyheptan-3-ol is CCCOCCC(O)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methyl-1-propoxyheptan-3-ol?
The InChIKey is AYONXDLAVORSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-9-15-10-7-11(13)6-8-12(2,3)14-4/h11,13H,5-10H2,1-4H3.
What are the key properties of 6-methoxy-6-methyl-1-propoxyheptan-3-ol?
6-methoxy-6-methyl-1-propoxyheptan-3-ol has a molecular weight of 218.34 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-1-propoxyheptan-3-ol is sourced from PubChem (CID 103028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).