(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one

C11H18O3 — CID 162399329

IUPAC(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1[C@H](O)CCCCC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h9-10,12H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyBHEZAZSIRPLUFM-VHSXEESVSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds5

About (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one

(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one (PubChem CID 162399329) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one
PubChem CID162399329
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1[C@H](O)CCCCC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h9-10,12H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyBHEZAZSIRPLUFM-VHSXEESVSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one
CID 11034763
3-(1-hydroxyheptyl)-4-(hydroxymethyl)oxolan-2-one
CID 167625763
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446
4-(1-hydroxytridecyl)-2H-furan-5-one
CID 15170115

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one (CID 162399329) is (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one is C=C1C(=O)OC[C@@H]1[C@H](O)CCCCC.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one?
The InChIKey is BHEZAZSIRPLUFM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h9-10,12H,2-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one?
(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 162399329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).