1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol

C12H22O2 — CID 115821566

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)C1C2CCCCC21
InChIInChI=1S/C12H22O2/c1-8(2)14-7-11(13)12-9-5-3-4-6-10(9)12/h8-13H,3-7H2,1-2H3
InChIKeyUSTQFYBDLDSDCM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.21
Rot. Bonds4

About 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol

1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol (PubChem CID 115821566) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
PubChem CID115821566
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)C1C2CCCCC21
InChIInChI=1S/C12H22O2/c1-8(2)14-7-11(13)12-9-5-3-4-6-10(9)12/h8-13H,3-7H2,1-2H3
InChIKeyUSTQFYBDLDSDCM-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol with MolForge

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Related Compounds

1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
CID 79566774
1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 104753734
1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol
CID 115789262
1-(7-bicyclo[4.1.0]heptanyl)hexan-1-ol
CID 115784454
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78983735
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol (CID 115821566) is 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol is CC(C)OCC(O)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol?
The InChIKey is USTQFYBDLDSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)14-7-11(13)12-9-5-3-4-6-10(9)12/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol?
1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol has a molecular weight of 198.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 115821566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).