9-(3-heptyloxiran-2-yl)nonan-1-ol

C18H36O2 — CID 102117929

IUPAC9-(3-heptyloxiran-2-yl)nonan-1-ol
SMILESCCCCCCCC1OC1CCCCCCCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-8-11-14-17-18(20-17)15-12-9-6-5-7-10-13-16-19/h17-19H,2-16H2,1H3
InChIKeyBCKVRMGKQLIAJW-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.23
Rot. Bonds15

About 9-(3-heptyloxiran-2-yl)nonan-1-ol

9-(3-heptyloxiran-2-yl)nonan-1-ol (PubChem CID 102117929) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 9-(3-heptyloxiran-2-yl)nonan-1-ol.

Molecular Properties

Compound Name9-(3-heptyloxiran-2-yl)nonan-1-ol
PubChem CID102117929
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name9-(3-heptyloxiran-2-yl)nonan-1-ol
SMILESCCCCCCCC1OC1CCCCCCCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-8-11-14-17-18(20-17)15-12-9-6-5-7-10-13-16-19/h17-19H,2-16H2,1H3
InChIKeyBCKVRMGKQLIAJW-UHFFFAOYSA-N
XLogP5.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
2-butyl-3-undecyloxirane
CID 88518775
[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
2-ethyl-3-henicosyloxirane
CID 20501424
6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
CID 67872617

Frequently Asked Questions

What is the IUPAC name of 9-(3-heptyloxiran-2-yl)nonan-1-ol?
The IUPAC name of 9-(3-heptyloxiran-2-yl)nonan-1-ol (CID 102117929) is 9-(3-heptyloxiran-2-yl)nonan-1-ol.
What is the SMILES notation for 9-(3-heptyloxiran-2-yl)nonan-1-ol?
The canonical SMILES for 9-(3-heptyloxiran-2-yl)nonan-1-ol is CCCCCCCC1OC1CCCCCCCCCO.
What is the InChIKey of 9-(3-heptyloxiran-2-yl)nonan-1-ol?
The InChIKey is BCKVRMGKQLIAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-8-11-14-17-18(20-17)15-12-9-6-5-7-10-13-16-19/h17-19H,2-16H2,1H3.
What are the key properties of 9-(3-heptyloxiran-2-yl)nonan-1-ol?
9-(3-heptyloxiran-2-yl)nonan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 5.23, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-heptyloxiran-2-yl)nonan-1-ol is sourced from PubChem (CID 102117929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).