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

C15H18O2 — CID 11390589

IUPAC(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
SMILESCc1cccc2c1[C@@H]1CC[C@@H]1C1(C2)OCCO1
InChIInChI=1S/C15H18O2/c1-10-3-2-4-11-9-15(16-7-8-17-15)13-6-5-12(13)14(10)11/h2-4,12-13H,5-9H2,1H3/t12-,13+/m1/s1
InChIKeyPNZKZJQISYKTNQ-OLZOCXBDSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds

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

(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] (PubChem CID 11390589) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene].

Molecular Properties

Compound Name(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
PubChem CID11390589
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
SMILESCc1cccc2c1[C@@H]1CC[C@@H]1C1(C2)OCCO1
InChIInChI=1S/C15H18O2/c1-10-3-2-4-11-9-15(16-7-8-17-15)13-6-5-12(13)14(10)11/h2-4,12-13H,5-9H2,1H3/t12-,13+/m1/s1
InChIKeyPNZKZJQISYKTNQ-OLZOCXBDSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The IUPAC name of (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] (CID 11390589) is (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene].
What is the SMILES notation for (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The canonical SMILES for (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] is Cc1cccc2c1[C@@H]1CC[C@@H]1C1(C2)OCCO1.
What is the InChIKey of (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
The InChIKey is PNZKZJQISYKTNQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-3-2-4-11-9-15(16-7-8-17-15)13-6-5-12(13)14(10)11/h2-4,12-13H,5-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]?
(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] has a molecular weight of 230.31 g/mol, XLogP of 2.79, 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)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene] is sourced from PubChem (CID 11390589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).