(2R)-1-methoxy-4-methyloct-7-en-2-ol

C10H20O2 — CID 90389525

IUPAC(2R)-1-methoxy-4-methyloct-7-en-2-ol
SMILESC=CCCC(C)C[C@@H](O)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-9(2)7-10(11)8-12-3/h4,9-11H,1,5-8H2,2-3H3/t9?,10-/m1/s1
InChIKeyWYUAZQJSMPCNDI-QVDQXJPCSA-N
MW172.27 g/mol
LogP1.99
Rot. Bonds7

About (2R)-1-methoxy-4-methyloct-7-en-2-ol

(2R)-1-methoxy-4-methyloct-7-en-2-ol (PubChem CID 90389525) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-1-methoxy-4-methyloct-7-en-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-4-methyloct-7-en-2-ol
PubChem CID90389525
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R)-1-methoxy-4-methyloct-7-en-2-ol
SMILESC=CCCC(C)C[C@@H](O)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-9(2)7-10(11)8-12-3/h4,9-11H,1,5-8H2,2-3H3/t9?,10-/m1/s1
InChIKeyWYUAZQJSMPCNDI-QVDQXJPCSA-N
XLogP1.99
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 ≤ 51.99
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)-1-methoxy-4-methyloct-7-en-2-ol?
The IUPAC name of (2R)-1-methoxy-4-methyloct-7-en-2-ol (CID 90389525) is (2R)-1-methoxy-4-methyloct-7-en-2-ol.
What is the SMILES notation for (2R)-1-methoxy-4-methyloct-7-en-2-ol?
The canonical SMILES for (2R)-1-methoxy-4-methyloct-7-en-2-ol is C=CCCC(C)C[C@@H](O)COC.
What is the InChIKey of (2R)-1-methoxy-4-methyloct-7-en-2-ol?
The InChIKey is WYUAZQJSMPCNDI-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-9(2)7-10(11)8-12-3/h4,9-11H,1,5-8H2,2-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-1-methoxy-4-methyloct-7-en-2-ol?
(2R)-1-methoxy-4-methyloct-7-en-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-4-methyloct-7-en-2-ol is sourced from PubChem (CID 90389525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).