spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

C12H14O2 — CID 605322

IUPACspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESc1ccc2c(c1)CCC1(C2)OCCO1
InChIInChI=1S/C12H14O2/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4H,5-9H2
InChIKeyAPOHLXPINSCOCV-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.92
Rot. Bonds

About spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 605322) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID605322
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namespiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESc1ccc2c(c1)CCC1(C2)OCCO1
InChIInChI=1S/C12H14O2/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4H,5-9H2
InChIKeyAPOHLXPINSCOCV-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-1,3-dioxolane
CID 7562
2-Methoxy-1,2,3,4-tetrahydronaphthalene
CID 249483
2-Acetoxytetralin
CID 250095
1,3-Dioxolane, 2-benzyl-2-methyl-
CID 221904
2-Pentoxy-1,2,3,4-tetrahydronaphthalene
CID 145021602
2-Benzyl-2,4,5-trimethyl-1,3-dioxolane
CID 221926
US20240150293, Example 64
CID 58909873
7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 154708674
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
8-Phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11264398
spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]
CID 11401254
8-(2-Phenylethylidene)-1,4-dioxaspiro[4.5]decane
CID 46196789

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 605322) is spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is c1ccc2c(c1)CCC1(C2)OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is APOHLXPINSCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4H,5-9H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 190.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 605322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).