3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol

C13H28O2 — CID 170393196

IUPAC3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
SMILESCOCC(CCO)(CCC(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-11(2)6-7-13(8-9-14,10-15-5)12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyBMPDWPOPZPRNHZ-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.09
Rot. Bonds8

About 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol

3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol (PubChem CID 170393196) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol.

Molecular Properties

Compound Name3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
PubChem CID170393196
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
SMILESCOCC(CCO)(CCC(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-11(2)6-7-13(8-9-14,10-15-5)12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyBMPDWPOPZPRNHZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
3-(methoxymethyl)-6-methylheptan-3-ol
CID 65149499
5,6-dimethoxy-4,7-bis(methoxymethyl)-2,10-dimethyl-4-(2-methylpropyl)-7-propan-2-ylundecane
CID 57188585
1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
CID 103985334
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
calcium;hydride;3-methylbutan-1-ol
CID 174734037
2-(3-methylbutyl)-2-propan-2-ylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 86597798
4,4-bis(methoxymethyl)-3,7-dimethylnonane
CID 177251110

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol?
The IUPAC name of 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol (CID 170393196) is 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol.
What is the SMILES notation for 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol?
The canonical SMILES for 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol is COCC(CCO)(CCC(C)C)C(C)C.
What is the InChIKey of 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol?
The InChIKey is BMPDWPOPZPRNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-11(2)6-7-13(8-9-14,10-15-5)12(3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol?
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol is sourced from PubChem (CID 170393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).