(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol

C15H28O3 — CID 123276701

IUPAC(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
SMILESCC(=CC[C@H]1COC(C)(C)O1)CCC[C@H](C)CO
InChIInChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-16)8-9-14-11-17-15(3,4)18-14/h8,13-14,16H,5-7,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyRMZRWXHSGZGZOT-KBPBESRZSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds7

About (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol

(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol (PubChem CID 123276701) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
PubChem CID123276701
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
SMILESCC(=CC[C@H]1COC(C)(C)O1)CCC[C@H](C)CO
InChIInChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-16)8-9-14-11-17-15(3,4)18-14/h8,13-14,16H,5-7,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyRMZRWXHSGZGZOT-KBPBESRZSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol?
The IUPAC name of (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol (CID 123276701) is (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol.
What is the SMILES notation for (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol?
The canonical SMILES for (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol is CC(=CC[C@H]1COC(C)(C)O1)CCC[C@H](C)CO.
What is the InChIKey of (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol?
The InChIKey is RMZRWXHSGZGZOT-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-16)8-9-14-11-17-15(3,4)18-14/h8,13-14,16H,5-7,9-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol?
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol is sourced from PubChem (CID 123276701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).