(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]

C15H18O2 — CID 11253224

IUPAC(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
SMILESc1ccc2c(c1)CC1(OCCCO1)[C@H]1CC[C@@H]21
InChIInChI=1S/C15H18O2/c1-2-5-12-11(4-1)10-15(14-7-6-13(12)14)16-8-3-9-17-15/h1-2,4-5,13-14H,3,6-10H2/t13-,14-/m0/s1
InChIKeyYIIADNQYSQNWMA-KBPBESRZSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds

About (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]

(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] (PubChem CID 11253224) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene].

Molecular Properties

Compound Name(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
PubChem CID11253224
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
SMILESc1ccc2c(c1)CC1(OCCCO1)[C@H]1CC[C@@H]21
InChIInChI=1S/C15H18O2/c1-2-5-12-11(4-1)10-15(14-7-6-13(12)14)16-8-3-9-17-15/h1-2,4-5,13-14H,3,6-10H2/t13-,14-/m0/s1
InChIKeyYIIADNQYSQNWMA-KBPBESRZSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] with MolForge

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Related Compounds

(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
CID 11390589
(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one
CID 14909433
2-[2-cyclohexyl-3-(2,3-dihydro-1H-inden-1-yl)oxolan-2-yl]oxane
CID 141359486
(3'R,4S)-3'-phenylspiro[1,5-dihydro-3-benzoxepine-4,2'-oxane]-2-one
CID 134958075
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
CID 2752895
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341

Frequently Asked Questions

What is the IUPAC name of (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The IUPAC name of (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] (CID 11253224) is (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene].
What is the SMILES notation for (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The canonical SMILES for (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] is c1ccc2c(c1)CC1(OCCCO1)[C@H]1CC[C@@H]21.
What is the InChIKey of (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The InChIKey is YIIADNQYSQNWMA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-5-12-11(4-1)10-15(14-7-6-13(12)14)16-8-3-9-17-15/h1-2,4-5,13-14H,3,6-10H2/t13-,14-/m0/s1.
What are the key properties of (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] has a molecular weight of 230.31 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] is sourced from PubChem (CID 11253224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).