acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol

C14H26O3 — CID 71419804

IUPACacetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol
SMILESCC(=O)O.CCCCC(=C=C(C)C)C[C@@H](C)O
InChIInChI=1S/C12H22O.C2H4O2/c1-5-6-7-12(8-10(2)3)9-11(4)13;1-2(3)4/h11,13H,5-7,9H2,1-4H3;1H3,(H,3,4)/t11-;/m1./s1
InChIKeyYIYOGGIURDRPNY-RFVHGSKJSA-N
MW242.36 g/mol
LogP3.53
Rot. Bonds5

About acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol

acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol (PubChem CID 71419804) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol.

Molecular Properties

Compound Nameacetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol
PubChem CID71419804
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameacetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol
SMILESCC(=O)O.CCCCC(=C=C(C)C)C[C@@H](C)O
InChIInChI=1S/C12H22O.C2H4O2/c1-5-6-7-12(8-10(2)3)9-11(4)13;1-2(3)4/h11,13H,5-7,9H2,1-4H3;1H3,(H,3,4)/t11-;/m1./s1
InChIKeyYIYOGGIURDRPNY-RFVHGSKJSA-N
XLogP3.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylprop-1-enylidene)octan-2-ol
CID 12739718
(2S)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419807
acetic acid;(3R)-5-ethenylidenenonan-3-ol
CID 71419852
acetic acid;tridecan-2-ol
CID 71339808
acetic acid;(2R)-hexan-2-ol;hexan-2-one
CID 118050364
2-hydroxyundecan-4-one
CID 57218315
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
acetic acid;butan-1-ol;propane-1,2-diol
CID 175324133
acetic acid;pentanoic acid
CID 87061456
acetic acid;bis(butan-2-ol)
CID 139558658
2-(2-ethenylidenehexyl)propanedioic acid
CID 174816589
butanoic acid;3-hydroxybutanoic acid
CID 131984541

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol?
The IUPAC name of acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol (CID 71419804) is acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol.
What is the SMILES notation for acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol?
The canonical SMILES for acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol is CC(=O)O.CCCCC(=C=C(C)C)C[C@@H](C)O.
What is the InChIKey of acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol?
The InChIKey is YIYOGGIURDRPNY-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H22O.C2H4O2/c1-5-6-7-12(8-10(2)3)9-11(4)13;1-2(3)4/h11,13H,5-7,9H2,1-4H3;1H3,(H,3,4)/t11-;/m1./s1.
What are the key properties of acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol?
acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol is sourced from PubChem (CID 71419804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).