3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol

C14H28O — CID 86019089

IUPAC3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol
SMILESC=C(C(C)C(C)(C)C)C(C)C(C)(O)CC
InChIInChI=1S/C14H28O/c1-9-14(8,15)12(4)10(2)11(3)13(5,6)7/h11-12,15H,2,9H2,1,3-8H3
InChIKeyMHNGGJUIWIGXPG-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.02
Rot. Bonds4

About 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol

3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol (PubChem CID 86019089) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol.

Molecular Properties

Compound Name3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol
PubChem CID86019089
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol
SMILESC=C(C(C)C(C)(C)C)C(C)C(C)(O)CC
InChIInChI=1S/C14H28O/c1-9-14(8,15)12(4)10(2)11(3)13(5,6)7/h11-12,15H,2,9H2,1,3-8H3
InChIKeyMHNGGJUIWIGXPG-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol?
The IUPAC name of 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol (CID 86019089) is 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol.
What is the SMILES notation for 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol?
The canonical SMILES for 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol is C=C(C(C)C(C)(C)C)C(C)C(C)(O)CC.
What is the InChIKey of 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol?
The InChIKey is MHNGGJUIWIGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-9-14(8,15)12(4)10(2)11(3)13(5,6)7/h11-12,15H,2,9H2,1,3-8H3.
What are the key properties of 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol?
3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol has a molecular weight of 212.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol is sourced from PubChem (CID 86019089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).