ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

C12H22O2 — CID 90942812

IUPACethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1CC2CC3(CC2C1)OCCO3.CC
InChIInChI=1S/C10H16O2.C2H6/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10;1-2/h8-9H,1-7H2;1-2H3
InChIKeyBFUIJPQWSZPXKW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds

About ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (PubChem CID 90942812) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Nameethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
PubChem CID90942812
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESC1CC2CC3(CC2C1)OCCO3.CC
InChIInChI=1S/C10H16O2.C2H6/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10;1-2/h8-9H,1-7H2;1-2H3
InChIKeyBFUIJPQWSZPXKW-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] with MolForge

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Related Compounds

(7R)-8-[(3R)-3-fluorobutyl]-7-methyl-1,4-dioxaspiro[4.4]nonane
CID 117908064
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
2-Ethoxy-5,5-difluoro-2-methoxy-1,3,3a,4,6,6a-hexahydropentalene
CID 170592454
7,8-Diethyl-1,4-dioxaspiro[4.4]nonane
CID 130400669
8-Butan-2-yl-1,4-dioxaspiro[4.4]nonane
CID 144633620
5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 167097593
2-Ethyl-2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]
CID 158342691
1,4-Dioxaspiro[4.4]nonane, 7-butyl-(R,R)-2,3-dimethyl-
CID 581554
CID 15617982
CID 15617982
3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 18682713

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The IUPAC name of ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (CID 90942812) is ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].
What is the SMILES notation for ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The canonical SMILES for ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is C1CC2CC3(CC2C1)OCCO3.CC.
What is the InChIKey of ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The InChIKey is BFUIJPQWSZPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6/c1-2-8-6-10(7-9(8)3-1)11-4-5-12-10;1-2/h8-9H,1-7H2;1-2H3.
What are the key properties of ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] has a molecular weight of 198.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 90942812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).