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

Name: 1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₂O₂ — CID 115821566

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
PubChem CID	115821566
Molecular Formula	C₁₂H₂₂O₂
Molecular Weight	198.31 g/mol
Exact Mass	198.16
IUPAC Name	1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
SMILES	CC(C)OCC(O)C1C2CCCCC21
InChI	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
InChIKey	USTQFYBDLDSDCM-UHFFFAOYSA-N
XLogP	2.21
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.31
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 115821566 — identifiers, structure, computed properties (public domain)

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