(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane

C14H26O — CID 155933936

IUPAC(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane
SMILESCC(C)=CCC[C@H](C)C[C@]1(C)CCCO1
InChIInChI=1S/C14H26O/c1-12(2)7-5-8-13(3)11-14(4)9-6-10-15-14/h7,13H,5-6,8-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyQHHDMTYJNLOLGJ-KBPBESRZSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds5

About (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane

(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane (PubChem CID 155933936) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane
PubChem CID155933936
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane
SMILESCC(C)=CCC[C@H](C)C[C@]1(C)CCCO1
InChIInChI=1S/C14H26O/c1-12(2)7-5-8-13(3)11-14(4)9-6-10-15-14/h7,13H,5-6,8-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyQHHDMTYJNLOLGJ-KBPBESRZSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane?
The IUPAC name of (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane (CID 155933936) is (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane.
What is the SMILES notation for (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane?
The canonical SMILES for (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane is CC(C)=CCC[C@H](C)C[C@]1(C)CCCO1.
What is the InChIKey of (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane?
The InChIKey is QHHDMTYJNLOLGJ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)11-14(4)9-6-10-15-14/h7,13H,5-6,8-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane?
(2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2,6-dimethylhept-5-enyl]-2-methyloxolane is sourced from PubChem (CID 155933936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).