(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol

C16H27NO — CID 178074580

IUPAC(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C16H27NO/c1-4-5-6-7-8-9-11-14-12-10-13-15(14)16(18)17(2)3/h10,12-13,18H,4-9,11H2,1-3H3/b16-15-
InChIKeyHRGHACBKBAIERJ-NXVVXOECSA-N
MW249.40 g/mol
LogP4.56
Rot. Bonds8

About (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol

(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 178074580) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID178074580
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C16H27NO/c1-4-5-6-7-8-9-11-14-12-10-13-15(14)16(18)17(2)3/h10,12-13,18H,4-9,11H2,1-3H3/b16-15-
InChIKeyHRGHACBKBAIERJ-NXVVXOECSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol (CID 178074580) is (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol is CCCCCCCCC1=CC=C/C1=C(/O)N(C)C.
What is the InChIKey of (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is HRGHACBKBAIERJ-NXVVXOECSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-7-8-9-11-14-12-10-13-15(14)16(18)17(2)3/h10,12-13,18H,4-9,11H2,1-3H3/b16-15-.
What are the key properties of (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol?
(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 249.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 178074580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).