2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one

Name: 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄O₂ — CID 11105719

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

IUPAC2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one

SMILESCC1CCC2=C(CCCC2=O)O1

InChIInChI=1S/C10H14O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h7H,2-6H2,1H3

InChIKeyYJLBDKPJLLOXEJ-UHFFFAOYSA-N

MW166.22 g/mol

LogP2.19

Rot. Bonds

About 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one

2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one (PubChem CID 11105719) has the molecular formula C₁₀H₁₄O₂ and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one.

Molecular Properties

Compound Name	2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
PubChem CID	11105719
Molecular Formula	C₁₀H₁₄O₂
Molecular Weight	166.22 g/mol
Exact Mass	166.10
IUPAC Name	2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILES	CC1CCC2=C(CCCC2=O)O1
InChI	InChI=1S/C10H14O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h7H,2-6H2,1H3
InChIKey	YJLBDKPJLLOXEJ-UHFFFAOYSA-N
XLogP	2.19
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.22
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?

The IUPAC name of 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one (CID 11105719) is 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one.

What is the SMILES notation for 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?

The canonical SMILES for 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one is CC1CCC2=C(CCCC2=O)O1.

What is the InChIKey of 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?

The InChIKey is YJLBDKPJLLOXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h7H,2-6H2,1H3.

What are the key properties of 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?

2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one has a molecular weight of 166.22 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 2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one is sourced from PubChem (CID 11105719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11105719 — identifiers, structure, computed properties (public domain)

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