5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one

C14H24O2 — CID 44720477

IUPAC5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
SMILESC=CCC(O)(CC=C)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-7-9-14(16,10-8-2)13(5,6)12(15)11(3)4/h7-8,11,16H,1-2,9-10H2,3-6H3
InChIKeyGCWLXXLPYSKYOO-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.12
Rot. Bonds7

About 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one

5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one (PubChem CID 44720477) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one.

Molecular Properties

Compound Name5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
PubChem CID44720477
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
SMILESC=CCC(O)(CC=C)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-7-9-14(16,10-8-2)13(5,6)12(15)11(3)4/h7-8,11,16H,1-2,9-10H2,3-6H3
InChIKeyGCWLXXLPYSKYOO-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
2,4,4,5,5-pentamethylhexan-3-one
CID 12642535
(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
CID 118300534
2,5-dihydroxy-5-methyloct-7-en-3-one
CID 87378107
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351471
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
2,2,4-trimethylhept-6-en-3-one
CID 130027108
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one?
The IUPAC name of 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one (CID 44720477) is 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one.
What is the SMILES notation for 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one?
The canonical SMILES for 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one is C=CCC(O)(CC=C)C(C)(C)C(=O)C(C)C.
What is the InChIKey of 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one?
The InChIKey is GCWLXXLPYSKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-9-14(16,10-8-2)13(5,6)12(15)11(3)4/h7-8,11,16H,1-2,9-10H2,3-6H3.
What are the key properties of 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one?
5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one is sourced from PubChem (CID 44720477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).