[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol

C16H24O3 — CID 15508538

IUPAC[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
SMILESC=COCCOCC1C(CO)C2CC1C1CC=CC21
InChIInChI=1S/C16H24O3/c1-2-18-6-7-19-10-16-14-8-13(15(16)9-17)11-4-3-5-12(11)14/h2-4,11-17H,1,5-10H2
InChIKeyQIAHBOOSLXHMJD-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.23
Rot. Bonds7

About [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol

[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol (PubChem CID 15508538) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol.

Molecular Properties

Compound Name[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
PubChem CID15508538
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
SMILESC=COCCOCC1C(CO)C2CC1C1CC=CC21
InChIInChI=1S/C16H24O3/c1-2-18-6-7-19-10-16-14-8-13(15(16)9-17)11-4-3-5-12(11)14/h2-4,11-17H,1,5-10H2
InChIKeyQIAHBOOSLXHMJD-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6-(Hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
CID 15921397
[9-(Hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
[9-(2-Ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508537
8,9-Bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
CID 15508540
1-(2-Bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol
CID 21361775
4-Methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol
CID 21361816
[2-(Hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 57098798
[5-(Hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol
CID 59748070
[9-(Hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-2-enyl]methanol
CID 67809560
2-[2-(1-Tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol
CID 70499877
2-[5-(2-Hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol
CID 70892638
3-[5-(2-Hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol
CID 70892640

Frequently Asked Questions

What is the IUPAC name of [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The IUPAC name of [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol (CID 15508538) is [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol.
What is the SMILES notation for [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The canonical SMILES for [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol is C=COCCOCC1C(CO)C2CC1C1CC=CC21.
What is the InChIKey of [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The InChIKey is QIAHBOOSLXHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-18-6-7-19-10-16-14-8-13(15(16)9-17)11-4-3-5-12(11)14/h2-4,11-17H,1,5-10H2.
What are the key properties of [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol has a molecular weight of 264.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol is sourced from PubChem (CID 15508538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).