3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol

C14H24O2 — CID 167099159

IUPAC3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol
SMILESC=C(CO)C(C)CCCCC1OCCC1=C
InChIInChI=1S/C14H24O2/c1-11(13(3)10-15)6-4-5-7-14-12(2)8-9-16-14/h11,14-15H,2-10H2,1H3
InChIKeyQIKCDGCGTXTAML-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.08
Rot. Bonds7

About 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol

3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol (PubChem CID 167099159) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol.

Molecular Properties

Compound Name3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol
PubChem CID167099159
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol
SMILESC=C(CO)C(C)CCCCC1OCCC1=C
InChIInChI=1S/C14H24O2/c1-11(13(3)10-15)6-4-5-7-14-12(2)8-9-16-14/h11,14-15H,2-10H2,1H3
InChIKeyQIKCDGCGTXTAML-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol?
The IUPAC name of 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol (CID 167099159) is 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol.
What is the SMILES notation for 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol?
The canonical SMILES for 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol is C=C(CO)C(C)CCCCC1OCCC1=C.
What is the InChIKey of 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol?
The InChIKey is QIKCDGCGTXTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(13(3)10-15)6-4-5-7-14-12(2)8-9-16-14/h11,14-15H,2-10H2,1H3.
What are the key properties of 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol?
3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol is sourced from PubChem (CID 167099159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).