(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane

C15H22O2 — CID 98518565

IUPAC(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
SMILESC1=CC[C@]23CC(O[C@H]4CCCCO4)C[C@]2(C1)C3
InChIInChI=1S/C15H22O2/c1-4-8-16-13(5-1)17-12-9-14-6-2-3-7-15(14,10-12)11-14/h2-3,12-13H,1,4-11H2/t13-,14+,15+/m0/s1
InChIKeyVUQBOEWMKVXUTQ-RRFJBIMHSA-N
MW234.34 g/mol
LogP3.42
Rot. Bonds2

About (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane

(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane (PubChem CID 98518565) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane.

Molecular Properties

Compound Name(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
PubChem CID98518565
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
SMILESC1=CC[C@]23CC(O[C@H]4CCCCO4)C[C@]2(C1)C3
InChIInChI=1S/C15H22O2/c1-4-8-16-13(5-1)17-12-9-14-6-2-3-7-15(14,10-12)11-14/h2-3,12-13H,1,4-11H2/t13-,14+,15+/m0/s1
InChIKeyVUQBOEWMKVXUTQ-RRFJBIMHSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
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 11735764
2-(oxetan-3-yloxy)oxane
CID 54083112
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CID 57121539
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
CID 141338293
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane?
The IUPAC name of (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane (CID 98518565) is (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane.
What is the SMILES notation for (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane?
The canonical SMILES for (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane is C1=CC[C@]23CC(O[C@H]4CCCCO4)C[C@]2(C1)C3.
What is the InChIKey of (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane?
The InChIKey is VUQBOEWMKVXUTQ-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-8-16-13(5-1)17-12-9-14-6-2-3-7-15(14,10-12)11-14/h2-3,12-13H,1,4-11H2/t13-,14+,15+/m0/s1.
What are the key properties of (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane?
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane has a molecular weight of 234.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane is sourced from PubChem (CID 98518565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).