(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]

C14H20O2 — CID 10680460

IUPAC(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]
SMILESCC1=CC=C[C@]2(C)CC3(CC[C@H]12)OCCO3
InChIInChI=1S/C14H20O2/c1-11-4-3-6-13(2)10-14(7-5-12(11)13)15-8-9-16-14/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyPHGLMWRRNDDRML-CHWSQXEVSA-N
MW220.31 g/mol
LogP3.05
Rot. Bonds

About (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]

(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane] (PubChem CID 10680460) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]
PubChem CID10680460
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]
SMILESCC1=CC=C[C@]2(C)CC3(CC[C@H]12)OCCO3
InChIInChI=1S/C14H20O2/c1-11-4-3-6-13(2)10-14(7-5-12(11)13)15-8-9-16-14/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyPHGLMWRRNDDRML-CHWSQXEVSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]?
The IUPAC name of (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane] (CID 10680460) is (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane].
What is the SMILES notation for (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]?
The canonical SMILES for (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane] is CC1=CC=C[C@]2(C)CC3(CC[C@H]12)OCCO3.
What is the InChIKey of (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]?
The InChIKey is PHGLMWRRNDDRML-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-4-3-6-13(2)10-14(7-5-12(11)13)15-8-9-16-14/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]?
(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane] has a molecular weight of 220.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 10680460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).