(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one

C19H32O2 — CID 167032941

IUPAC(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one
SMILESCC(CC1CCCC1)C(=O)/C=C(\O)C(C)CC1CCCC1
InChIInChI=1S/C19H32O2/c1-14(11-16-7-3-4-8-16)18(20)13-19(21)15(2)12-17-9-5-6-10-17/h13-17,20H,3-12H2,1-2H3/b18-13-
InChIKeyMZTDUSMVPPDWEL-AQTBWJFISA-N
MW292.46 g/mol
LogP5.43
Rot. Bonds7

About (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one

(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one (PubChem CID 167032941) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one
PubChem CID167032941
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one
SMILESCC(CC1CCCC1)C(=O)/C=C(\O)C(C)CC1CCCC1
InChIInChI=1S/C19H32O2/c1-14(11-16-7-3-4-8-16)18(20)13-19(21)15(2)12-17-9-5-6-10-17/h13-17,20H,3-12H2,1-2H3/b18-13-
InChIKeyMZTDUSMVPPDWEL-AQTBWJFISA-N
XLogP5.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 114264495
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
4-cyclopentyl-N-hydroxy-3-methylbutanamide
CID 138641176
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497

Frequently Asked Questions

What is the IUPAC name of (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one (CID 167032941) is (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one is CC(CC1CCCC1)C(=O)/C=C(\O)C(C)CC1CCCC1.
What is the InChIKey of (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The InChIKey is MZTDUSMVPPDWEL-AQTBWJFISA-N. The full InChI is InChI=1S/C19H32O2/c1-14(11-16-7-3-4-8-16)18(20)13-19(21)15(2)12-17-9-5-6-10-17/h13-17,20H,3-12H2,1-2H3/b18-13-.
What are the key properties of (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one?
(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one has a molecular weight of 292.46 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 167032941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).