methane;7-methoxyheptan-2-ol

C10H26O2 — CID 158258066

IUPACmethane;7-methoxyheptan-2-ol
SMILESC.C.COCCCCCC(C)O
InChIInChI=1S/C8H18O2.2CH4/c1-8(9)6-4-3-5-7-10-2;;/h8-9H,3-7H2,1-2H3;2*1H4
InChIKeyGHNJITCJFXAJTL-UHFFFAOYSA-N
MW178.32 g/mol
LogP2.85
Rot. Bonds6

About methane;7-methoxyheptan-2-ol

methane;7-methoxyheptan-2-ol (PubChem CID 158258066) has the molecular formula C10H26O2 and a molecular weight of 178.32 g/mol. Its IUPAC name is methane;7-methoxyheptan-2-ol.

Molecular Properties

Compound Namemethane;7-methoxyheptan-2-ol
PubChem CID158258066
Molecular FormulaC10H26O2
Molecular Weight178.32 g/mol
Exact Mass178.19
IUPAC Namemethane;7-methoxyheptan-2-ol
SMILESC.C.COCCCCCC(C)O
InChIInChI=1S/C8H18O2.2CH4/c1-8(9)6-4-3-5-7-10-2;;/h8-9H,3-7H2,1-2H3;2*1H4
InChIKeyGHNJITCJFXAJTL-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
butane-1,3-diol;4-methoxybutan-1-ol
CID 87928957
1,11-dimethoxy-2-methylundecane
CID 118982395
22-butoxydocosan-2-ol
CID 88608244
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
(2R)-heptan-2-ol;methane;O-methylhydroxylamine
CID 142521484
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
8-methoxy-2-methyloctan-3-amine
CID 64504624
heptane;heptan-2-ol
CID 157400640
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630

Frequently Asked Questions

What is the IUPAC name of methane;7-methoxyheptan-2-ol?
The IUPAC name of methane;7-methoxyheptan-2-ol (CID 158258066) is methane;7-methoxyheptan-2-ol.
What is the SMILES notation for methane;7-methoxyheptan-2-ol?
The canonical SMILES for methane;7-methoxyheptan-2-ol is C.C.COCCCCCC(C)O.
What is the InChIKey of methane;7-methoxyheptan-2-ol?
The InChIKey is GHNJITCJFXAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.2CH4/c1-8(9)6-4-3-5-7-10-2;;/h8-9H,3-7H2,1-2H3;2*1H4.
What are the key properties of methane;7-methoxyheptan-2-ol?
methane;7-methoxyheptan-2-ol has a molecular weight of 178.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methoxyheptan-2-ol is sourced from PubChem (CID 158258066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).