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

C10H16O2 — CID 70384491

IUPAC(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
SMILESC1C[C@@H]2CCC3(OCCO3)[C@H]2C1
InChIInChI=1S/C10H16O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h8-9H,1-7H2/t8-,9+/m1/s1
InChIKeyOIASNNXMSIIYEK-BDAKNGLRSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

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

(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] (PubChem CID 70384491) 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-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Name(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
PubChem CID70384491
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
SMILESC1C[C@@H]2CCC3(OCCO3)[C@H]2C1
InChIInChI=1S/C10H16O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h8-9H,1-7H2/t8-,9+/m1/s1
InChIKeyOIASNNXMSIIYEK-BDAKNGLRSA-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

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Frequently Asked Questions

What is the IUPAC name of (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The IUPAC name of (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] (CID 70384491) is (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene].
What is the SMILES notation for (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The canonical SMILES for (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] is C1C[C@@H]2CCC3(OCCO3)[C@H]2C1.
What is the InChIKey of (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The InChIKey is OIASNNXMSIIYEK-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-8-4-5-10(9(8)3-1)11-6-7-12-10/h8-9H,1-7H2/t8-,9+/m1/s1.
What are the key properties of (3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-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-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 70384491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).