(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol

C10H18O2 — CID 91430393

IUPAC(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol
SMILESCC1(C)CC2CCC(CO)C2O1
InChIInChI=1S/C10H18O2/c1-10(2)5-7-3-4-8(6-11)9(7)12-10/h7-9,11H,3-6H2,1-2H3
InChIKeyMZELXNIZACGVBD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds1

About (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol

(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol (PubChem CID 91430393) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol
PubChem CID91430393
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol
SMILESCC1(C)CC2CCC(CO)C2O1
InChIInChI=1S/C10H18O2/c1-10(2)5-7-3-4-8(6-11)9(7)12-10/h7-9,11H,3-6H2,1-2H3
InChIKeyMZELXNIZACGVBD-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol?
The IUPAC name of (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol (CID 91430393) is (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol is CC1(C)CC2CCC(CO)C2O1.
What is the InChIKey of (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol?
The InChIKey is MZELXNIZACGVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2)5-7-3-4-8(6-11)9(7)12-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol?
(2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl)methanol is sourced from PubChem (CID 91430393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).