(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol

C15H26O2 — CID 134861453

IUPAC(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)(C)C(O)[C@@H](C)[C@@H]1CC[C@](C)(C=C)O1
InChIInChI=1S/C15H26O2/c1-7-14(4,5)13(16)11(3)12-9-10-15(6,8-2)17-12/h7-8,11-13,16H,1-2,9-10H2,3-6H3/t11-,12-,13?,15-/m0/s1
InChIKeyMKTVDMJRBCBNPW-VKXBSSMUSA-N
MW238.37 g/mol
LogP3.32
Rot. Bonds5

About (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol

(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol (PubChem CID 134861453) 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]-4,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol
PubChem CID134861453
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)(C)C(O)[C@@H](C)[C@@H]1CC[C@](C)(C=C)O1
InChIInChI=1S/C15H26O2/c1-7-14(4,5)13(16)11(3)12-9-10-15(6,8-2)17-12/h7-8,11-13,16H,1-2,9-10H2,3-6H3/t11-,12-,13?,15-/m0/s1
InChIKeyMKTVDMJRBCBNPW-VKXBSSMUSA-N
XLogP3.32
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 ≤ 53.32
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]-4,4-dimethylhex-5-en-3-ol?
The IUPAC name of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol (CID 134861453) is (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol?
The canonical SMILES for (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol is C=CC(C)(C)C(O)[C@@H](C)[C@@H]1CC[C@](C)(C=C)O1.
What is the InChIKey of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol?
The InChIKey is MKTVDMJRBCBNPW-VKXBSSMUSA-N. The full InChI is InChI=1S/C15H26O2/c1-7-14(4,5)13(16)11(3)12-9-10-15(6,8-2)17-12/h7-8,11-13,16H,1-2,9-10H2,3-6H3/t11-,12-,13?,15-/m0/s1.
What are the key properties of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol?
(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-ol has a molecular weight of 238.37 g/mol, XLogP of 3.32, 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]-4,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 134861453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).