octan-2-yloxymethanol

C9H20O2 — CID 57306212

IUPACoctan-2-yloxymethanol
SMILESCCCCCCC(C)OCO
InChIInChI=1S/C9H20O2/c1-3-4-5-6-7-9(2)11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyGJSRCBYPCMSORW-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.31
Rot. Bonds7

About octan-2-yloxymethanol

octan-2-yloxymethanol (PubChem CID 57306212) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is octan-2-yloxymethanol.

Molecular Properties

Compound Nameoctan-2-yloxymethanol
PubChem CID57306212
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Nameoctan-2-yloxymethanol
SMILESCCCCCCC(C)OCO
InChIInChI=1S/C9H20O2/c1-3-4-5-6-7-9(2)11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyGJSRCBYPCMSORW-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxytridecane
CID 54143367
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
2-(methoxymethoxy)nonane
CID 13203850
2-decan-2-yloxyethanol;sulfuric acid
CID 158151690
1-hexan-2-yloxydecane
CID 57029724
2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083

Frequently Asked Questions

What is the IUPAC name of octan-2-yloxymethanol?
The IUPAC name of octan-2-yloxymethanol (CID 57306212) is octan-2-yloxymethanol.
What is the SMILES notation for octan-2-yloxymethanol?
The canonical SMILES for octan-2-yloxymethanol is CCCCCCC(C)OCO.
What is the InChIKey of octan-2-yloxymethanol?
The InChIKey is GJSRCBYPCMSORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-4-5-6-7-9(2)11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of octan-2-yloxymethanol?
octan-2-yloxymethanol has a molecular weight of 160.26 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yloxymethanol is sourced from PubChem (CID 57306212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).