2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol

C14H24O2 — CID 134963778

IUPAC2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol
SMILESC=C(CCC=C(C)C)C1COC(C)(C)C1O
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)12-9-16-14(4,5)13(12)15/h7,12-13,15H,3,6,8-9H2,1-2,4-5H3
InChIKeyAQMXZZVDCYSDRU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.07
Rot. Bonds4

About 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol

2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol (PubChem CID 134963778) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol
PubChem CID134963778
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol
SMILESC=C(CCC=C(C)C)C1COC(C)(C)C1O
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)12-9-16-14(4,5)13(12)15/h7,12-13,15H,3,6,8-9H2,1-2,4-5H3
InChIKeyAQMXZZVDCYSDRU-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.07
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 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol?
The IUPAC name of 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol (CID 134963778) is 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol.
What is the SMILES notation for 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol?
The canonical SMILES for 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol is C=C(CCC=C(C)C)C1COC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol?
The InChIKey is AQMXZZVDCYSDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)12-9-16-14(4,5)13(12)15/h7,12-13,15H,3,6,8-9H2,1-2,4-5H3.
What are the key properties of 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol?
2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol has a molecular weight of 224.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)oxolan-3-ol is sourced from PubChem (CID 134963778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).