7-butan-2-yloxyheptan-1-ol

C11H24O2 — CID 90727194

IUPAC7-butan-2-yloxyheptan-1-ol
SMILESCCC(C)OCCCCCCCO
InChIInChI=1S/C11H24O2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3
InChIKeyLNUHNNCHPYNWOW-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds9

About 7-butan-2-yloxyheptan-1-ol

7-butan-2-yloxyheptan-1-ol (PubChem CID 90727194) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 7-butan-2-yloxyheptan-1-ol.

Molecular Properties

Compound Name7-butan-2-yloxyheptan-1-ol
PubChem CID90727194
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name7-butan-2-yloxyheptan-1-ol
SMILESCCC(C)OCCCCCCCO
InChIInChI=1S/C11H24O2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3
InChIKeyLNUHNNCHPYNWOW-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
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

3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
CID 90890219
5-(5-methoxyhexoxy)hexan-1-ol
CID 165144322
3-butan-2-yloxypropan-1-amine
CID 54795719
16-butan-2-yloxyhexadecoxy dihydrogen phosphate
CID 175759326
methane;2-octadecoxypropan-1-ol
CID 178185801
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132
2-[2-(4-hydroxybutoxy)propoxy]ethane-1,1-diol
CID 173117028
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yloxyheptan-1-ol?
The IUPAC name of 7-butan-2-yloxyheptan-1-ol (CID 90727194) is 7-butan-2-yloxyheptan-1-ol.
What is the SMILES notation for 7-butan-2-yloxyheptan-1-ol?
The canonical SMILES for 7-butan-2-yloxyheptan-1-ol is CCC(C)OCCCCCCCO.
What is the InChIKey of 7-butan-2-yloxyheptan-1-ol?
The InChIKey is LNUHNNCHPYNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 7-butan-2-yloxyheptan-1-ol?
7-butan-2-yloxyheptan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yloxyheptan-1-ol is sourced from PubChem (CID 90727194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).