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

C11H18O2 — CID 18682713

IUPAC3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
SMILESCC1CCC2C1CCC21OCCO1
InChIInChI=1S/C11H18O2/c1-8-2-3-10-9(8)4-5-11(10)12-6-7-13-11/h8-10H,2-7H2,1H3
InChIKeyCEDOYUMIQDPHDU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.19
Rot. Bonds

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

3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] (PubChem CID 18682713) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Name3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
PubChem CID18682713
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
SMILESCC1CCC2C1CCC21OCCO1
InChIInChI=1S/C11H18O2/c1-8-2-3-10-9(8)4-5-11(10)12-6-7-13-11/h8-10H,2-7H2,1H3
InChIKeyCEDOYUMIQDPHDU-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The IUPAC name of 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] (CID 18682713) is 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene].
What is the SMILES notation for 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The canonical SMILES for 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] is CC1CCC2C1CCC21OCCO1.
What is the InChIKey of 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
The InChIKey is CEDOYUMIQDPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-2-3-10-9(8)4-5-11(10)12-6-7-13-11/h8-10H,2-7H2,1H3.
What are the key properties of 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]?
3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] has a molecular weight of 182.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 18682713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).