2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol

C16H34O2 — CID 139843549

IUPAC2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol
SMILESCC(C)CC(C(C)C)C(C)(C)C(O)(O)CC(C)C
InChIInChI=1S/C16H34O2/c1-11(2)9-14(13(5)6)15(7,8)16(17,18)10-12(3)4/h11-14,17-18H,9-10H2,1-8H3
InChIKeyUUBIXCZSMOOQRX-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.06
Rot. Bonds7

About 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol

2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol (PubChem CID 139843549) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol.

Molecular Properties

Compound Name2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol
PubChem CID139843549
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol
SMILESCC(C)CC(C(C)C)C(C)(C)C(O)(O)CC(C)C
InChIInChI=1S/C16H34O2/c1-11(2)9-14(13(5)6)15(7,8)16(17,18)10-12(3)4/h11-14,17-18H,9-10H2,1-8H3
InChIKeyUUBIXCZSMOOQRX-UHFFFAOYSA-N
XLogP4.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 129691116

Frequently Asked Questions

What is the IUPAC name of 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol?
The IUPAC name of 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol (CID 139843549) is 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol.
What is the SMILES notation for 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol?
The canonical SMILES for 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol is CC(C)CC(C(C)C)C(C)(C)C(O)(O)CC(C)C.
What is the InChIKey of 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol?
The InChIKey is UUBIXCZSMOOQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-11(2)9-14(13(5)6)15(7,8)16(17,18)10-12(3)4/h11-14,17-18H,9-10H2,1-8H3.
What are the key properties of 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol?
2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol has a molecular weight of 258.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8-tetramethyl-6-propan-2-ylnonane-4,4-diol is sourced from PubChem (CID 139843549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).