8-methoxynonan-3-ol

C10H22O2 — CID 140998506

IUPAC8-methoxynonan-3-ol
SMILESCCC(O)CCCCC(C)OC
InChIInChI=1S/C10H22O2/c1-4-10(11)8-6-5-7-9(2)12-3/h9-11H,4-8H2,1-3H3
InChIKeyWRVHLNZYFNORRL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds7

About 8-methoxynonan-3-ol

8-methoxynonan-3-ol (PubChem CID 140998506) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 8-methoxynonan-3-ol.

Molecular Properties

Compound Name8-methoxynonan-3-ol
PubChem CID140998506
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name8-methoxynonan-3-ol
SMILESCCC(O)CCCCC(C)OC
InChIInChI=1S/C10H22O2/c1-4-10(11)8-6-5-7-9(2)12-3/h9-11H,4-8H2,1-3H3
InChIKeyWRVHLNZYFNORRL-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.35
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

nonane-3,7-diol
CID 22141483
(3R)-10-methylundecan-3-ol
CID 164999222
9-methoxy-1-nitrosodecan-5-ol
CID 154980449
octan-3-ol;propan-2-ol;silane
CID 174446163
methanol;5-methoxyhexan-3-ol
CID 171659791
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222
ethane;2-methoxyhexane
CID 91199174
(5R)-heptane-1,5-diol
CID 170849468
icosan-3-ol
CID 14940768
1-ethylsulfonyl-7-methoxyoctan-4-ol
CID 105101726
dodecan-3-ol;propane
CID 159624658
octane-1,6-diol
CID 159745348

Frequently Asked Questions

What is the IUPAC name of 8-methoxynonan-3-ol?
The IUPAC name of 8-methoxynonan-3-ol (CID 140998506) is 8-methoxynonan-3-ol.
What is the SMILES notation for 8-methoxynonan-3-ol?
The canonical SMILES for 8-methoxynonan-3-ol is CCC(O)CCCCC(C)OC.
What is the InChIKey of 8-methoxynonan-3-ol?
The InChIKey is WRVHLNZYFNORRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-10(11)8-6-5-7-9(2)12-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 8-methoxynonan-3-ol?
8-methoxynonan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxynonan-3-ol is sourced from PubChem (CID 140998506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).