7-methoxy-7-methyloct-1-en-4-ol

C10H20O2 — CID 103035568

IUPAC7-methoxy-7-methyloct-1-en-4-ol
SMILESC=CCC(O)CCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyASNDUAKGRNSDBW-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds6

About 7-methoxy-7-methyloct-1-en-4-ol

7-methoxy-7-methyloct-1-en-4-ol (PubChem CID 103035568) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 7-methoxy-7-methyloct-1-en-4-ol.

Molecular Properties

Compound Name7-methoxy-7-methyloct-1-en-4-ol
PubChem CID103035568
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name7-methoxy-7-methyloct-1-en-4-ol
SMILESC=CCC(O)CCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyASNDUAKGRNSDBW-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze 7-methoxy-7-methyloct-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-6-methylhept-1-en-4-ol
CID 103027433
6-methoxy-6-methyl-1-propoxyheptan-3-ol
CID 103028153
hex-5-ene-1,3-diol
CID 15626312
1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
CID 103147658
5-methoxy-5-methylhex-1-en-3-ol
CID 103027593
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
(4R)-8-methylnon-1-en-4-ol
CID 11672703
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
hex-5-en-3-ol
CID 158321330
(3S)-hex-5-en-3-ol
CID 10749148

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyloct-1-en-4-ol?
The IUPAC name of 7-methoxy-7-methyloct-1-en-4-ol (CID 103035568) is 7-methoxy-7-methyloct-1-en-4-ol.
What is the SMILES notation for 7-methoxy-7-methyloct-1-en-4-ol?
The canonical SMILES for 7-methoxy-7-methyloct-1-en-4-ol is C=CCC(O)CCC(C)(C)OC.
What is the InChIKey of 7-methoxy-7-methyloct-1-en-4-ol?
The InChIKey is ASNDUAKGRNSDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 7-methoxy-7-methyloct-1-en-4-ol?
7-methoxy-7-methyloct-1-en-4-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyloct-1-en-4-ol is sourced from PubChem (CID 103035568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).