1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol

C14H30O3 — CID 123384991

IUPAC1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
SMILESCOCCOCCC(O)CCCC(C)C(C)C
InChIInChI=1S/C14H30O3/c1-12(2)13(3)6-5-7-14(15)8-9-17-11-10-16-4/h12-15H,5-11H2,1-4H3
InChIKeyNCQOXXHAMKBKSH-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.86
Rot. Bonds11

About 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol

1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol (PubChem CID 123384991) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
PubChem CID123384991
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
SMILESCOCCOCCC(O)CCCC(C)C(C)C
InChIInChI=1S/C14H30O3/c1-12(2)13(3)6-5-7-14(15)8-9-17-11-10-16-4/h12-15H,5-11H2,1-4H3
InChIKeyNCQOXXHAMKBKSH-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.86
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

4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606
1-(2-methoxyethoxy)hept-6-yn-3-ol
CID 102927511
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
7-methoxyheptane-1,5-diol
CID 57129669
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol?
The IUPAC name of 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol (CID 123384991) is 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol is COCCOCCC(O)CCCC(C)C(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol?
The InChIKey is NCQOXXHAMKBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-12(2)13(3)6-5-7-14(15)8-9-17-11-10-16-4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol?
1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol has a molecular weight of 246.39 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol is sourced from PubChem (CID 123384991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).