4-methoxy-7-methyldecan-5-ol

C12H26O2 — CID 116711734

IUPAC4-methoxy-7-methyldecan-5-ol
SMILESCCCC(C)CC(O)C(CCC)OC
InChIInChI=1S/C12H26O2/c1-5-7-10(3)9-11(13)12(14-4)8-6-2/h10-13H,5-9H2,1-4H3
InChIKeyBQWHRRSLMDMLTQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds8

About 4-methoxy-7-methyldecan-5-ol

4-methoxy-7-methyldecan-5-ol (PubChem CID 116711734) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-methoxy-7-methyldecan-5-ol.

Molecular Properties

Compound Name4-methoxy-7-methyldecan-5-ol
PubChem CID116711734
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name4-methoxy-7-methyldecan-5-ol
SMILESCCCC(C)CC(O)C(CCC)OC
InChIInChI=1S/C12H26O2/c1-5-7-10(3)9-11(13)12(14-4)8-6-2/h10-13H,5-9H2,1-4H3
InChIKeyBQWHRRSLMDMLTQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxyhexan-2-ol
CID 116711716
4-methoxynonan-5-ol
CID 116711594
3,6-dimethylnonan-4-ol
CID 56626033
4-methoxy-2-methylheptan-3-ol
CID 116711593
5-methoxy-2-methyloct-1-en-4-ol
CID 116711758
3-methoxy-2-methylhexane
CID 23384964
3-methoxyheptan-4-ol
CID 54045994
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
5-methyloctan-3-ol
CID 19931017
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
1-(2-methylpentoxy)ethanol
CID 173285010
2-methoxy-5-methyloctan-3-amine
CID 79616792

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyldecan-5-ol?
The IUPAC name of 4-methoxy-7-methyldecan-5-ol (CID 116711734) is 4-methoxy-7-methyldecan-5-ol.
What is the SMILES notation for 4-methoxy-7-methyldecan-5-ol?
The canonical SMILES for 4-methoxy-7-methyldecan-5-ol is CCCC(C)CC(O)C(CCC)OC.
What is the InChIKey of 4-methoxy-7-methyldecan-5-ol?
The InChIKey is BQWHRRSLMDMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-10(3)9-11(13)12(14-4)8-6-2/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-methoxy-7-methyldecan-5-ol?
4-methoxy-7-methyldecan-5-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyldecan-5-ol is sourced from PubChem (CID 116711734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).