(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]

C13H18O2 — CID 11085008

IUPAC(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]
SMILESCC(C)=C1C=C[C@H]2CC3(C[C@@H]12)OCCO3
InChIInChI=1S/C13H18O2/c1-9(2)11-4-3-10-7-13(8-12(10)11)14-5-6-15-13/h3-4,10,12H,5-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyRPPVSFDXFNDGMO-CMPLNLGQSA-N
MW206.28 g/mol
LogP2.66
Rot. Bonds

About (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]

(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] (PubChem CID 11085008) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane].

Molecular Properties

Compound Name(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]
PubChem CID11085008
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]
SMILESCC(C)=C1C=C[C@H]2CC3(C[C@@H]12)OCCO3
InChIInChI=1S/C13H18O2/c1-9(2)11-4-3-10-7-13(8-12(10)11)14-5-6-15-13/h3-4,10,12H,5-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyRPPVSFDXFNDGMO-CMPLNLGQSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] with MolForge

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Related Compounds

spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol
CID 15054252
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
(7S,9S)-7,9-diphenyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12885727
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
5'-ethoxyspiro[1,3-dioxolane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 167120554
(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 97303686
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
CID 13089485
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]?
The IUPAC name of (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] (CID 11085008) is (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane].
What is the SMILES notation for (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]?
The canonical SMILES for (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] is CC(C)=C1C=C[C@H]2CC3(C[C@@H]12)OCCO3.
What is the InChIKey of (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]?
The InChIKey is RPPVSFDXFNDGMO-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)11-4-3-10-7-13(8-12(10)11)14-5-6-15-13/h3-4,10,12H,5-8H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]?
(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] has a molecular weight of 206.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane] is sourced from PubChem (CID 11085008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).