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

C15H26O3 — CID 46895205

IUPAC1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol
SMILESC=C(CC(C)=C(C)C)CC(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O3/c1-10(2)12(4)7-11(3)8-13(16)14-9-17-15(5,6)18-14/h13-14,16H,3,7-9H2,1-2,4-6H3/t13?,14-/m1/s1
InChIKeyOJEOOJJPJQUZHX-ARLHGKGLSA-N
MW254.37 g/mol
LogP3.19
Rot. Bonds5

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

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol (PubChem CID 46895205) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol
PubChem CID46895205
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol
SMILESC=C(CC(C)=C(C)C)CC(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O3/c1-10(2)12(4)7-11(3)8-13(16)14-9-17-15(5,6)18-14/h13-14,16H,3,7-9H2,1-2,4-6H3/t13?,14-/m1/s1
InChIKeyOJEOOJJPJQUZHX-ARLHGKGLSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.19
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

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 53465510
[2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 14542125
5-Methoxymethoxy-9-methyl-dec-8-ene-2,4-diol
CID 53305210
(1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 102312821
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
trans-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776173
cis-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776221
7-Hydroxy-8-methylnon-8-en-2-one ethylene ketal
CID 129811574
(2S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-4-methylpent-4-en-2-ol
CID 134867169
(E,3S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoct-6-ene-1,3-diol
CID 134967770
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 154708415
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol?
The IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol (CID 46895205) is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol is C=C(CC(C)=C(C)C)CC(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol?
The InChIKey is OJEOOJJPJQUZHX-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H26O3/c1-10(2)12(4)7-11(3)8-13(16)14-9-17-15(5,6)18-14/h13-14,16H,3,7-9H2,1-2,4-6H3/t13?,14-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol?
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol is sourced from PubChem (CID 46895205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).