(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol

C15H26O3 — CID 162881173

IUPAC(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
SMILESC=C[C@@](C)(O)CC=C[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/t12-,14-,15+/m1/s1
InChIKeyBAEXUXXJQFAXLI-YUELXQCFSA-N
MW254.37 g/mol
LogP2.58
Rot. Bonds5

About (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol

(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol (PubChem CID 162881173) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
PubChem CID162881173
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
SMILESC=C[C@@](C)(O)CC=C[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/t12-,14-,15+/m1/s1
InChIKeyBAEXUXXJQFAXLI-YUELXQCFSA-N
XLogP2.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
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 (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol?
The IUPAC name of (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol (CID 162881173) is (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol.
What is the SMILES notation for (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol?
The canonical SMILES for (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol is C=C[C@@](C)(O)CC=C[C@@]1(C)CC[C@H](C(C)(C)O)O1.
What is the InChIKey of (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol?
The InChIKey is BAEXUXXJQFAXLI-YUELXQCFSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-14(4,17)9-7-10-15(5)11-8-12(18-15)13(2,3)16/h6-7,10,12,16-17H,1,8-9,11H2,2-5H3/t12-,14-,15+/m1/s1.
What are the key properties of (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol?
(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol has a molecular weight of 254.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol is sourced from PubChem (CID 162881173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).