2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol

C12H18O2 — CID 155577749

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol
SMILESCC(C)c1cc2c(o1)CCCCC2O
InChIInChI=1S/C12H18O2/c1-8(2)12-7-9-10(13)5-3-4-6-11(9)14-12/h7-8,10,13H,3-6H2,1-2H3
InChIKeyNHKDEXNPOZNKQK-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.16
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol

2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol (PubChem CID 155577749) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol
PubChem CID155577749
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol
SMILESCC(C)c1cc2c(o1)CCCCC2O
InChIInChI=1S/C12H18O2/c1-8(2)12-7-9-10(13)5-3-4-6-11(9)14-12/h7-8,10,13H,3-6H2,1-2H3
InChIKeyNHKDEXNPOZNKQK-UHFFFAOYSA-N
XLogP3.16
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol (CID 155577749) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol is CC(C)c1cc2c(o1)CCCCC2O.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol?
The InChIKey is NHKDEXNPOZNKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)12-7-9-10(13)5-3-4-6-11(9)14-12/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol has a molecular weight of 194.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol is sourced from PubChem (CID 155577749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).