(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol

C17H32O3 — CID 139308680

IUPAC(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
SMILESCCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(C)=C/CO)O1
InChIInChI=1S/C17H32O3/c1-5-6-17-19-12-16(20-17)11-15(4)14(3)8-7-13(2)9-10-18/h9,14-18H,5-8,10-12H2,1-4H3/b13-9+/t14-,15?,16+,17?/m0/s1
InChIKeyWSHPVINSQOIAJT-YHCZMFBZSA-N
MW284.44 g/mol
LogP3.91
Rot. Bonds9

About (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol

(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol (PubChem CID 139308680) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol.

Molecular Properties

Compound Name(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
PubChem CID139308680
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
SMILESCCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(C)=C/CO)O1
InChIInChI=1S/C17H32O3/c1-5-6-17-19-12-16(20-17)11-15(4)14(3)8-7-13(2)9-10-18/h9,14-18H,5-8,10-12H2,1-4H3/b13-9+/t14-,15?,16+,17?/m0/s1
InChIKeyWSHPVINSQOIAJT-YHCZMFBZSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.91
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 (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol?
The IUPAC name of (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol (CID 139308680) is (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol.
What is the SMILES notation for (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol?
The canonical SMILES for (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol is CCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(C)=C/CO)O1.
What is the InChIKey of (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol?
The InChIKey is WSHPVINSQOIAJT-YHCZMFBZSA-N. The full InChI is InChI=1S/C17H32O3/c1-5-6-17-19-12-16(20-17)11-15(4)14(3)8-7-13(2)9-10-18/h9,14-18H,5-8,10-12H2,1-4H3/b13-9+/t14-,15?,16+,17?/m0/s1.
What are the key properties of (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol?
(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol has a molecular weight of 284.44 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol is sourced from PubChem (CID 139308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).