(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol

C12H22O2 — CID 134886585

IUPAC(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol
SMILESC=CC[C@@H](O[C@H](CC)C(=C)C)C(C)O
InChIInChI=1S/C12H22O2/c1-6-8-12(10(5)13)14-11(7-2)9(3)4/h6,10-13H,1,3,7-8H2,2,4-5H3/t10?,11-,12-/m1/s1
InChIKeyWVLVBCPUQGOEHY-PQDIPPBSSA-N
MW198.31 g/mol
LogP2.68
Rot. Bonds7

About (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol

(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol (PubChem CID 134886585) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol.

Molecular Properties

Compound Name(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol
PubChem CID134886585
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol
SMILESC=CC[C@@H](O[C@H](CC)C(=C)C)C(C)O
InChIInChI=1S/C12H22O2/c1-6-8-12(10(5)13)14-11(7-2)9(3)4/h6,10-13H,1,3,7-8H2,2,4-5H3/t10?,11-,12-/m1/s1
InChIKeyWVLVBCPUQGOEHY-PQDIPPBSSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol?
The IUPAC name of (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol (CID 134886585) is (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol.
What is the SMILES notation for (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol?
The canonical SMILES for (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol is C=CC[C@@H](O[C@H](CC)C(=C)C)C(C)O.
What is the InChIKey of (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol?
The InChIKey is WVLVBCPUQGOEHY-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-8-12(10(5)13)14-11(7-2)9(3)4/h6,10-13H,1,3,7-8H2,2,4-5H3/t10?,11-,12-/m1/s1.
What are the key properties of (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol?
(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol is sourced from PubChem (CID 134886585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).