3,3,4,8-tetramethylnon-7-en-2-ol

C13H26O — CID 58555248

IUPAC3,3,4,8-tetramethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)C(C)(C)C(C)O
InChIInChI=1S/C13H26O/c1-10(2)8-7-9-11(3)13(5,6)12(4)14/h8,11-12,14H,7,9H2,1-6H3
InChIKeyKWOATNPMDYJLDS-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds5

About 3,3,4,8-tetramethylnon-7-en-2-ol

3,3,4,8-tetramethylnon-7-en-2-ol (PubChem CID 58555248) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,3,4,8-tetramethylnon-7-en-2-ol.

Molecular Properties

Compound Name3,3,4,8-tetramethylnon-7-en-2-ol
PubChem CID58555248
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3,3,4,8-tetramethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)C(C)(C)C(C)O
InChIInChI=1S/C13H26O/c1-10(2)8-7-9-11(3)13(5,6)12(4)14/h8,11-12,14H,7,9H2,1-6H3
InChIKeyKWOATNPMDYJLDS-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
2,2,3,7-tetramethyloct-6-enyl acetate
CID 155155943
2-(1,1-diphenylethyl)-3,7-dimethyloct-6-ene-1,1-diol
CID 57163744
(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
CID 87515653
2,4,8-trimethylnon-7-en-3-ol
CID 3015367
4,8-dimethylnon-7-en-3-ol
CID 3015366
2-(1-hydroxyethyl)-5-methylhex-4-enoic acid
CID 175148500
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
CID 126609123
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
(3R)-3-hydroxy-7-methyloct-6-enoic acid
CID 14333599

Frequently Asked Questions

What is the IUPAC name of 3,3,4,8-tetramethylnon-7-en-2-ol?
The IUPAC name of 3,3,4,8-tetramethylnon-7-en-2-ol (CID 58555248) is 3,3,4,8-tetramethylnon-7-en-2-ol.
What is the SMILES notation for 3,3,4,8-tetramethylnon-7-en-2-ol?
The canonical SMILES for 3,3,4,8-tetramethylnon-7-en-2-ol is CC(C)=CCCC(C)C(C)(C)C(C)O.
What is the InChIKey of 3,3,4,8-tetramethylnon-7-en-2-ol?
The InChIKey is KWOATNPMDYJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)8-7-9-11(3)13(5,6)12(4)14/h8,11-12,14H,7,9H2,1-6H3.
What are the key properties of 3,3,4,8-tetramethylnon-7-en-2-ol?
3,3,4,8-tetramethylnon-7-en-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,8-tetramethylnon-7-en-2-ol is sourced from PubChem (CID 58555248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).