8-methylnonan-1-ol;prop-2-enoic acid

C13H26O3 — CID 175073761

IUPAC8-methylnonan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(C)CCCCCCCO
InChIInChI=1S/C10H22O.C3H4O2/c1-10(2)8-6-4-3-5-7-9-11;1-2-3(4)5/h10-11H,3-9H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyJIBDCQYXEBTRFO-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.23
Rot. Bonds8

About 8-methylnonan-1-ol;prop-2-enoic acid

8-methylnonan-1-ol;prop-2-enoic acid (PubChem CID 175073761) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 8-methylnonan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name8-methylnonan-1-ol;prop-2-enoic acid
PubChem CID175073761
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name8-methylnonan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(C)CCCCCCCO
InChIInChI=1S/C10H22O.C3H4O2/c1-10(2)8-6-4-3-5-7-9-11;1-2-3(4)5/h10-11H,3-9H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyJIBDCQYXEBTRFO-UHFFFAOYSA-N
XLogP3.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

alumane;6-methylheptan-1-ol
CID 174615736
CID 172760633
CID 172760633
16-methylheptadecan-1-ol;titanium
CID 151630620
18-hydroxy-2-(6-methylheptyl)octadecanoic acid
CID 54382083
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
octadecan-1-ol;prop-2-enoic acid
CID 88814637
hexadecan-1-ol;bis(prop-2-enoic acid)
CID 175738657
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
methyl 6-methylheptyl carbonate;prop-2-enoic acid
CID 175279781
sodium;hydride;8-methylnonan-1-ol
CID 175362951
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
nonane-1,9-diol;bis(propane-1,2,3-triol);bis(prop-2-enoic acid)
CID 161436278

Frequently Asked Questions

What is the IUPAC name of 8-methylnonan-1-ol;prop-2-enoic acid?
The IUPAC name of 8-methylnonan-1-ol;prop-2-enoic acid (CID 175073761) is 8-methylnonan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 8-methylnonan-1-ol;prop-2-enoic acid?
The canonical SMILES for 8-methylnonan-1-ol;prop-2-enoic acid is C=CC(=O)O.CC(C)CCCCCCCO.
What is the InChIKey of 8-methylnonan-1-ol;prop-2-enoic acid?
The InChIKey is JIBDCQYXEBTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C3H4O2/c1-10(2)8-6-4-3-5-7-9-11;1-2-3(4)5/h10-11H,3-9H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of 8-methylnonan-1-ol;prop-2-enoic acid?
8-methylnonan-1-ol;prop-2-enoic acid has a molecular weight of 230.35 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 175073761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).