2,5-dibutyl-3-hydroxycyclohex-2-en-1-one

Name: 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄O₂ — CID 166518633

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

IUPAC2,5-dibutyl-3-hydroxycyclohex-2-en-1-one

SMILESCCCCC1=C(O)CC(CCCC)CC1=O

InChIInChI=1S/C14H24O2/c1-3-5-7-11-9-13(15)12(8-6-4-2)14(16)10-11/h11,15H,3-10H2,1-2H3

InChIKeyHAWWYWHRULZGTL-UHFFFAOYSA-N

MW224.34 g/mol

LogP4.16

Rot. Bonds6

About 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one

2,5-dibutyl-3-hydroxycyclohex-2-en-1-one (PubChem CID 166518633) has the molecular formula C₁₄H₂₄O₂ and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name	2,5-dibutyl-3-hydroxycyclohex-2-en-1-one
PubChem CID	166518633
Molecular Formula	C₁₄H₂₄O₂
Molecular Weight	224.34 g/mol
Exact Mass	224.18
IUPAC Name	2,5-dibutyl-3-hydroxycyclohex-2-en-1-one
SMILES	CCCCC1=C(O)CC(CCCC)CC1=O
InChI	InChI=1S/C14H24O2/c1-3-5-7-11-9-13(15)12(8-6-4-2)14(16)10-11/h11,15H,3-10H2,1-2H3
InChIKey	HAWWYWHRULZGTL-UHFFFAOYSA-N
XLogP	4.16
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.34
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one?

The IUPAC name of 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one (CID 166518633) is 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one.

What is the SMILES notation for 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one?

The canonical SMILES for 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one is CCCCC1=C(O)CC(CCCC)CC1=O.

What is the InChIKey of 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one?

The InChIKey is HAWWYWHRULZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-11-9-13(15)12(8-6-4-2)14(16)10-11/h11,15H,3-10H2,1-2H3.

What are the key properties of 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one?

2,5-dibutyl-3-hydroxycyclohex-2-en-1-one has a molecular weight of 224.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dibutyl-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 166518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 166518633 — identifiers, structure, computed properties (public domain)

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