propan-2-yl 2-(4-hydroxycyclohexylidene)acetate

C11H18O3 — CID 102199406

IUPACpropan-2-yl 2-(4-hydroxycyclohexylidene)acetate
SMILESCC(C)OC(=O)C=C1CCC(O)CC1
InChIInChI=1S/C11H18O3/c1-8(2)14-11(13)7-9-3-5-10(12)6-4-9/h7-8,10,12H,3-6H2,1-2H3/b9-7-
InChIKeyNFNIDTCNMRMAGV-CLFYSBASSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds2

About propan-2-yl 2-(4-hydroxycyclohexylidene)acetate

propan-2-yl 2-(4-hydroxycyclohexylidene)acetate (PubChem CID 102199406) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is propan-2-yl 2-(4-hydroxycyclohexylidene)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-hydroxycyclohexylidene)acetate
PubChem CID102199406
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namepropan-2-yl 2-(4-hydroxycyclohexylidene)acetate
SMILESCC(C)OC(=O)C=C1CCC(O)CC1
InChIInChI=1S/C11H18O3/c1-8(2)14-11(13)7-9-3-5-10(12)6-4-9/h7-8,10,12H,3-6H2,1-2H3/b9-7-
InChIKeyNFNIDTCNMRMAGV-CLFYSBASSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
4-(methoxymethylidene)cyclohexan-1-ol
CID 118366639
ethyl (E)-4-(4-hydroxycyclohexylidene)but-2-enoate
CID 100958566
methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
CID 107449473
methyl 2-[4-(methoxymethyl)cyclohexylidene]acetate
CID 13460372
2,4-dimethylpentyl 2-(4-tert-butylcyclohexylidene)acetate
CID 101092701
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
1-O-cyclohexyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 68672121
propan-2-yl 2-(4-oxocyclohexyl)acetate
CID 167515528
propan-2-yl 2-(3-hydroxycyclopentyl)acetate
CID 146448446
cyclopropanol;2-methylpropanoic acid
CID 174792699
trimethyl-[(Z)-3-oxo-3-propan-2-yloxyprop-1-enyl]azanium
CID 134994374

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-hydroxycyclohexylidene)acetate?
The IUPAC name of propan-2-yl 2-(4-hydroxycyclohexylidene)acetate (CID 102199406) is propan-2-yl 2-(4-hydroxycyclohexylidene)acetate.
What is the SMILES notation for propan-2-yl 2-(4-hydroxycyclohexylidene)acetate?
The canonical SMILES for propan-2-yl 2-(4-hydroxycyclohexylidene)acetate is CC(C)OC(=O)C=C1CCC(O)CC1.
What is the InChIKey of propan-2-yl 2-(4-hydroxycyclohexylidene)acetate?
The InChIKey is NFNIDTCNMRMAGV-CLFYSBASSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)14-11(13)7-9-3-5-10(12)6-4-9/h7-8,10,12H,3-6H2,1-2H3/b9-7-.
What are the key properties of propan-2-yl 2-(4-hydroxycyclohexylidene)acetate?
propan-2-yl 2-(4-hydroxycyclohexylidene)acetate has a molecular weight of 198.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-hydroxycyclohexylidene)acetate is sourced from PubChem (CID 102199406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).