7-methoxy-3-methylideneoctan-1-ol

C10H20O2 — CID 22764429

IUPAC7-methoxy-3-methylideneoctan-1-ol
SMILESC=C(CCO)CCCC(C)OC
InChIInChI=1S/C10H20O2/c1-9(7-8-11)5-4-6-10(2)12-3/h10-11H,1,4-8H2,2-3H3
InChIKeySBEISDMTOMYOCN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds7

About 7-methoxy-3-methylideneoctan-1-ol

7-methoxy-3-methylideneoctan-1-ol (PubChem CID 22764429) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 7-methoxy-3-methylideneoctan-1-ol.

Molecular Properties

Compound Name7-methoxy-3-methylideneoctan-1-ol
PubChem CID22764429
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name7-methoxy-3-methylideneoctan-1-ol
SMILESC=C(CCO)CCCC(C)OC
InChIInChI=1S/C10H20O2/c1-9(7-8-11)5-4-6-10(2)12-3/h10-11H,1,4-8H2,2-3H3
InChIKeySBEISDMTOMYOCN-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.13
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 7-methoxy-3-methylideneoctan-1-ol?
The IUPAC name of 7-methoxy-3-methylideneoctan-1-ol (CID 22764429) is 7-methoxy-3-methylideneoctan-1-ol.
What is the SMILES notation for 7-methoxy-3-methylideneoctan-1-ol?
The canonical SMILES for 7-methoxy-3-methylideneoctan-1-ol is C=C(CCO)CCCC(C)OC.
What is the InChIKey of 7-methoxy-3-methylideneoctan-1-ol?
The InChIKey is SBEISDMTOMYOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(7-8-11)5-4-6-10(2)12-3/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 7-methoxy-3-methylideneoctan-1-ol?
7-methoxy-3-methylideneoctan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylideneoctan-1-ol is sourced from PubChem (CID 22764429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).