(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol

C19H34O4 — CID 10520206

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol
SMILESC=C(C)CCC[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCC(=C)C
InChIInChI=1S/C19H34O4/c1-13(2)9-7-11-15(20)17-18(23-19(5,6)22-17)16(21)12-8-10-14(3)4/h15-18,20-21H,1,3,7-12H2,2,4-6H3/t15-,16-,17-,18-/m1/s1
InChIKeyMXUUGZDWIDVPLY-BRSBDYLESA-N
MW326.48 g/mol
LogP3.72
Rot. Bonds10

About (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol

(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol (PubChem CID 10520206) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol
PubChem CID10520206
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol
SMILESC=C(C)CCC[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCC(=C)C
InChIInChI=1S/C19H34O4/c1-13(2)9-7-11-15(20)17-18(23-19(5,6)22-17)16(21)12-8-10-14(3)4/h15-18,20-21H,1,3,7-12H2,2,4-6H3/t15-,16-,17-,18-/m1/s1
InChIKeyMXUUGZDWIDVPLY-BRSBDYLESA-N
XLogP3.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-1-[(4S,5S)-2,2-dimethyl-5-[(1R)-5-methyl-1-methylsulfonyloxyhex-5-enyl]-1,3-dioxolan-4-yl]-5-methylhex-5-enyl] methanesulfonate
CID 10814662
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 132600131
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
CID 69074201
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
2,7-dimethyloct-7-en-3-ol
CID 79185633
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
[(2R)-2-[(4R,5R)-5-[(1R)-2-acetyloxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] acetate
CID 118615098
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
2,14-dimethylpentadeca-1,14-diene
CID 123962057

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol (CID 10520206) is (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol is C=C(C)CCC[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCC(=C)C.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol?
The InChIKey is MXUUGZDWIDVPLY-BRSBDYLESA-N. The full InChI is InChI=1S/C19H34O4/c1-13(2)9-7-11-15(20)17-18(23-19(5,6)22-17)16(21)12-8-10-14(3)4/h15-18,20-21H,1,3,7-12H2,2,4-6H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol?
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol has a molecular weight of 326.48 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol is sourced from PubChem (CID 10520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).