(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one

C8H10O2 — CID 10997100

IUPAC(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)/C(=C\O)CC1
InChIInChI=1S/C8H10O2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3H2,1H3/b7-5-
InChIKeyXPTVDCSWCBEBJS-ALCCZGGFSA-N
MW138.17 g/mol
LogP1.74
Rot. Bonds

About (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one

(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one (PubChem CID 10997100) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one
PubChem CID10997100
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)/C(=C\O)CC1
InChIInChI=1S/C8H10O2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3H2,1H3/b7-5-
InChIKeyXPTVDCSWCBEBJS-ALCCZGGFSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 15934363
Hydroxymethylenecarvone
CID 129652728
Isopentenylbenzochinon
CID 129889542
2-Butyl-5-methyl-[1,4]benzoquinone
CID 10442255
(4E)-4-(2-hydroxypropylidene)octan-3-one
CID 13624468
(E)-1-hydroxy-3-methyldec-2-en-4-one
CID 13624469
(6Z)-6-(hydroxymethylidene)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14889608
2,5-Dibutylcyclohexa-2,5-diene-1,4-dione
CID 10822816
(1E,6E,10E)-1-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 17802138
4-(2-Hydroxyethylidene)decan-5-one
CID 57017886

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one (CID 10997100) is (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one is CC1=CC(=O)/C(=C\O)CC1.
What is the InChIKey of (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one?
The InChIKey is XPTVDCSWCBEBJS-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3H2,1H3/b7-5-.
What are the key properties of (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one?
(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10997100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).