(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

C10H16O2 — CID 67894072

IUPAC(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1C[C@@H]2CC3(C[C@@H]2C1)OCCO3
InChIInChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2/t8-,9+
InChIKeyOLHWFGNKRZIYBK-DTORHVGOSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

About (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (PubChem CID 67894072) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Name(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
PubChem CID67894072
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1C[C@@H]2CC3(C[C@@H]2C1)OCCO3
InChIInChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2/t8-,9+
InChIKeyOLHWFGNKRZIYBK-DTORHVGOSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] with MolForge

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Related Compounds

6,6-Difluorospiro[1,2,3a,4,5,6a-hexahydropentalene-3,2'-1,3-dioxolane]
CID 156694085
5,5-Difluorospiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]
CID 167120551
5',5'-difluoro-6'a-methylspiro[1,3-dioxolane-2,2'-3,3a,4,6-tetrahydro-1H-pentalene]
CID 167120577
7,8-Diethyl-1,4-dioxaspiro[4.4]nonane
CID 130400669
CID 135040833
CID 135040833
2-Ethyl-2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]
CID 158342691
CID 15617982
CID 15617982
3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 18682713
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 20694722
2-Cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
CID 23560977
(3aR,6aS)-hexahydro-1H-spiro[pentalene-2,2'-[1,3]dioxolan]-5-ol
CID 57775756
(3'aS,6'aR)-2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 57775765

Frequently Asked Questions

What is the IUPAC name of (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The IUPAC name of (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (CID 67894072) is (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].
What is the SMILES notation for (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The canonical SMILES for (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is C1C[C@@H]2CC3(C[C@@H]2C1)OCCO3.
What is the InChIKey of (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The InChIKey is OLHWFGNKRZIYBK-DTORHVGOSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10/h8-9H,1-7H2/t8-,9+.
What are the key properties of (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 67894072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).