4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol

C11H20O2 — CID 548899

IUPAC4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol
SMILESC=C1CC(C)OC(CCCCO)C1
InChIInChI=1S/C11H20O2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h10-12H,1,3-8H2,2H3
InChIKeyNCKKAJXSSHFMGD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds4

About 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol

4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol (PubChem CID 548899) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol
PubChem CID548899
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol
SMILESC=C1CC(C)OC(CCCCO)C1
InChIInChI=1S/C11H20O2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h10-12H,1,3-8H2,2H3
InChIKeyNCKKAJXSSHFMGD-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
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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Related Compounds

4-Methylideneheptane-2,6-diol
CID 13739297
(2S,6S)-6-methoxynon-8-en-2-ol
CID 102174435
(4r)-6-Methylidene-8-diethoxyoctan-4-ol
CID 129757635
3-Methylidenenonane-1,5-diol
CID 134857911
2-[(2R,4S,6R)-4-methoxy-6-prop-2-enyloxan-2-yl]ethanol
CID 145945203
7-Methyloct-7-ene-1,5-diol
CID 17860405
7-Methoxy-3-methylideneoctan-1-ol
CID 22764429
(4R)-2-methylidene-6-propyloxan-4-ol
CID 59365107
2-Methylidene-6-propyloxan-4-ol
CID 59365110
2-[(2R,6R)-6-[(2S)-2,4-dihydroxybutyl]-4-methylideneoxan-2-yl]ethoxyboranylidene-sulfanylidenephosphanium
CID 89384878
2-(2-Ethoxyprop-2-enyl)oxan-4-ol
CID 123508545
6-Methoxy-8-methylidenedecan-4-ol
CID 123819745

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol?
The IUPAC name of 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol (CID 548899) is 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol?
The canonical SMILES for 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol is C=C1CC(C)OC(CCCCO)C1.
What is the InChIKey of 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol?
The InChIKey is NCKKAJXSSHFMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h10-12H,1,3-8H2,2H3.
What are the key properties of 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol?
4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-methylideneoxan-2-yl)butan-1-ol is sourced from PubChem (CID 548899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).