1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene

C10H10O — CID 10888051

IUPAC1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene
SMILESc1ccc2c(c1)CC1OC1C2
InChIInChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-4,9-10H,5-6H2
InChIKeyKXSWSFNGQCBWQA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.55
Rot. Bonds

About 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene

1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene (PubChem CID 10888051) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene.

Molecular Properties

Compound Name1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene
PubChem CID10888051
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene
SMILESc1ccc2c(c1)CC1OC1C2
InChIInChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-4,9-10H,5-6H2
InChIKeyKXSWSFNGQCBWQA-UHFFFAOYSA-N
XLogP1.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-Tetrahydro-2-naphthalenol
CID 10747
(2S)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 7157069
Naphthalene 1,2-oxide
CID 108063
1a,9b-Dihydrophenanthro(9,10-b)oxirene
CID 104975
(R)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 640694
Naphthalene 1,2-oxide, (-)-
CID 11094749
1-Naphthylpropylene oxide
CID 119125
(9R,10S)-9,10-epoxy-9,10-dihydrophenanthrene
CID 443196
1,2-Epoxy-1,2,3,4-tetrahydronaphthalene
CID 92182
2-Methoxy-1,2,3,4-tetrahydronaphthalene
CID 249483
2-Acetoxytetralin
CID 250095
1,2-Epoxytetralin, (1R,2S)-
CID 11105503

Frequently Asked Questions

What is the IUPAC name of 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The IUPAC name of 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene (CID 10888051) is 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene.
What is the SMILES notation for 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The canonical SMILES for 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene is c1ccc2c(c1)CC1OC1C2.
What is the InChIKey of 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The InChIKey is KXSWSFNGQCBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-4,9-10H,5-6H2.
What are the key properties of 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene?
1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene is sourced from PubChem (CID 10888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).