(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol

C15H26O2 — CID 134833061

IUPAC(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(O)CC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12-14,16H,1,8-10H2,2-5H3/t12-,13?,14+,15+/m1/s1
InChIKeyXDDCIEBLDYBJNU-URLJDCLXSA-N
MW238.37 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol

(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol (PubChem CID 134833061) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol
PubChem CID134833061
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(O)CC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12-14,16H,1,8-10H2,2-5H3/t12-,13?,14+,15+/m1/s1
InChIKeyXDDCIEBLDYBJNU-URLJDCLXSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.46
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 (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol?
The IUPAC name of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol (CID 134833061) is (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol.
What is the SMILES notation for (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol?
The canonical SMILES for (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol is C=C[C@@]1(C)CC[C@@H]([C@H](C)C(O)CC=C(C)C)O1.
What is the InChIKey of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol?
The InChIKey is XDDCIEBLDYBJNU-URLJDCLXSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12-14,16H,1,8-10H2,2-5H3/t12-,13?,14+,15+/m1/s1.
What are the key properties of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol?
(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol has a molecular weight of 238.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-ol is sourced from PubChem (CID 134833061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).