(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene

C16H18O — CID 11914682

IUPAC(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene
SMILESC1=C[C@H]2[C@H]1[C@@H]1CC[C@H]2[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C16H18O/c1-2-4-12(5-3-1)17-16-10-11-6-7-15(16)14-9-8-13(11)14/h1-5,8-9,11,13-16H,6-7,10H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyDDUXCRUGWWAJRA-JZYAIQKZSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds2

About (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene

(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene (PubChem CID 11914682) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene.

Molecular Properties

Compound Name(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene
PubChem CID11914682
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene
SMILESC1=C[C@H]2[C@H]1[C@@H]1CC[C@H]2[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C16H18O/c1-2-4-12(5-3-1)17-16-10-11-6-7-15(16)14-9-8-13(11)14/h1-5,8-9,11,13-16H,6-7,10H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyDDUXCRUGWWAJRA-JZYAIQKZSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 98143097
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CID 130451527
(3aR,4R,7aS)-4-phenoxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 102066020
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
2-phenoxycyclooctan-1-ol
CID 22247671
2,3-difluoro-4-phenoxypiperidine
CID 129282213
(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
CID 54108121
8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 71174950
(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 22808602
2-phenoxycyclobutan-1-one
CID 12791410
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene?
The IUPAC name of (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene (CID 11914682) is (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene.
What is the SMILES notation for (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene?
The canonical SMILES for (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene is C1=C[C@H]2[C@H]1[C@@H]1CC[C@H]2[C@@H](Oc2ccccc2)C1.
What is the InChIKey of (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene?
The InChIKey is DDUXCRUGWWAJRA-JZYAIQKZSA-N. The full InChI is InChI=1S/C16H18O/c1-2-4-12(5-3-1)17-16-10-11-6-7-15(16)14-9-8-13(11)14/h1-5,8-9,11,13-16H,6-7,10H2/t11-,13-,14+,15-,16+/m1/s1.
What are the key properties of (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene?
(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene has a molecular weight of 226.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene is sourced from PubChem (CID 11914682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).