ethane;1-methoxy-3,3-dimethylheptane

C12H28O — CID 142973962

IUPACethane;1-methoxy-3,3-dimethylheptane
SMILESCC.CCCCC(C)(C)CCOC
InChIInChI=1S/C10H22O.C2H6/c1-5-6-7-10(2,3)8-9-11-4;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyRPJUWOQBKGDVRH-UHFFFAOYSA-N
MW188.35 g/mol
LogP4.27
Rot. Bonds6

About ethane;1-methoxy-3,3-dimethylheptane

ethane;1-methoxy-3,3-dimethylheptane (PubChem CID 142973962) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is ethane;1-methoxy-3,3-dimethylheptane.

Molecular Properties

Compound Nameethane;1-methoxy-3,3-dimethylheptane
PubChem CID142973962
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Nameethane;1-methoxy-3,3-dimethylheptane
SMILESCC.CCCCC(C)(C)CCOC
InChIInChI=1S/C10H22O.C2H6/c1-5-6-7-10(2,3)8-9-11-4;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyRPJUWOQBKGDVRH-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
1-(3,3-dimethylnonoxy)-3,3-dimethylnonane
CID 174611784
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
16,16,21,21-tetramethylhexatriacontane
CID 174880889
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
1-methoxy-3-methyldodecan-3-amine
CID 62620545
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
3,3-dimethyloctane;ethane
CID 145013248
5,5-dimethylnonane;5-methylnonane
CID 158755954

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3,3-dimethylheptane?
The IUPAC name of ethane;1-methoxy-3,3-dimethylheptane (CID 142973962) is ethane;1-methoxy-3,3-dimethylheptane.
What is the SMILES notation for ethane;1-methoxy-3,3-dimethylheptane?
The canonical SMILES for ethane;1-methoxy-3,3-dimethylheptane is CC.CCCCC(C)(C)CCOC.
What is the InChIKey of ethane;1-methoxy-3,3-dimethylheptane?
The InChIKey is RPJUWOQBKGDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C2H6/c1-5-6-7-10(2,3)8-9-11-4;1-2/h5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;1-methoxy-3,3-dimethylheptane?
ethane;1-methoxy-3,3-dimethylheptane has a molecular weight of 188.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3,3-dimethylheptane is sourced from PubChem (CID 142973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).