(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol

C13H24O3 — CID 11470214

IUPAC(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@](C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O3/c1-10(2)7-6-8-13(5,14)11-9-15-12(3,4)16-11/h7,11,14H,6,8-9H2,1-5H3/t11-,13-/m1/s1
InChIKeyMANKGINXPINMDG-DGCLKSJQSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds4

About (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol (PubChem CID 11470214) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
PubChem CID11470214
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@](C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O3/c1-10(2)7-6-8-13(5,14)11-9-15-12(3,4)16-11/h7,11,14H,6,8-9H2,1-5H3/t11-,13-/m1/s1
InChIKeyMANKGINXPINMDG-DGCLKSJQSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 102161205
[(1S,4R)-4-acetyloxy-1-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2S,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate
CID 163039864
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 42599666
1-amino-5-methyl-1-(oxiran-2-yl)hex-4-en-1-ol
CID 146180447
(1S,2S)-1-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 122217449
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)but-3-yne-1,2-diol
CID 11148148
2-(3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl)-6-methylhept-5-en-2-ol
CID 14193944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol (CID 11470214) is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol is CC(C)=CCC[C@@](C)(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol?
The InChIKey is MANKGINXPINMDG-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)7-6-8-13(5,14)11-9-15-12(3,4)16-11/h7,11,14H,6,8-9H2,1-5H3/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol?
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 11470214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).