4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C20H34O2 — CID 143551639

IUPAC4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESOC1CCC(OC2/C=C/CCCCCCC2)C2CCCCC12
InChIInChI=1S/C20H34O2/c21-19-14-15-20(18-13-9-8-12-17(18)19)22-16-10-6-4-2-1-3-5-7-11-16/h6,10,16-21H,1-5,7-9,11-15H2/b10-6+
InChIKeyQEHKCFOGQGHTNV-UXBLZVDNSA-N
MW306.49 g/mol
LogP5.00
Rot. Bonds2

About 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 143551639) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID143551639
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESOC1CCC(OC2/C=C/CCCCCCC2)C2CCCCC12
InChIInChI=1S/C20H34O2/c21-19-14-15-20(18-13-9-8-12-17(18)19)22-16-10-6-4-2-1-3-5-7-11-16/h6,10,16-21H,1-5,7-9,11-15H2/b10-6+
InChIKeyQEHKCFOGQGHTNV-UXBLZVDNSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10397221
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2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
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[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
CID 131983406
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
CID 155273444
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 143551639) is 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is OC1CCC(OC2/C=C/CCCCCCC2)C2CCCCC12.
What is the InChIKey of 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is QEHKCFOGQGHTNV-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H34O2/c21-19-14-15-20(18-13-9-8-12-17(18)19)22-16-10-6-4-2-1-3-5-7-11-16/h6,10,16-21H,1-5,7-9,11-15H2/b10-6+.
What are the key properties of 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 306.49 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-cyclodec-2-en-1-yl]oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 143551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).