5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

C26H37NO2 — CID 22973435

IUPAC5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
SMILESC#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCCCCC)cc1OC2(C)C
InChIInChI=1S/C26H37NO2/c1-6-8-9-10-11-12-19(3)20-16-23(28)25-21-18-27(14-7-2)15-13-22(21)26(4,5)29-24(25)17-20/h2,16-17,19,28H,6,8-15,18H2,1,3-5H3
InChIKeySGLZHXRONXAGHP-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.12
Rot. Bonds8

About 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol (PubChem CID 22973435) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol.

Molecular Properties

Compound Name5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
PubChem CID22973435
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
SMILESC#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCCCCC)cc1OC2(C)C
InChIInChI=1S/C26H37NO2/c1-6-8-9-10-11-12-19(3)20-16-23(28)25-21-18-27(14-7-2)15-13-22(21)26(4,5)29-24(25)17-20/h2,16-17,19,28H,6,8-15,18H2,1,3-5H3
InChIKeySGLZHXRONXAGHP-UHFFFAOYSA-N
XLogP6.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol with MolForge

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Launch Full Analysis

Related Compounds

8-heptan-2-yl-N',10-dihydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridine-2-carboximidamide
CID 54128241
7-heptan-2-yl-4,4-dimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
CID 21433925
2-[10-hydroxy-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-phenylacetamide
CID 21321142
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate;dihydrochloride
CID 21433905
4-hydroxy-1-[10-hydroxy-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]butan-1-one
CID 12800743
[5,5-dimethyl-8-(3-methyloctyl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-(2-methylpiperidin-1-yl)butanoate
CID 88822071
9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 154377540
(4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 8-thiomorpholin-4-yloctanoate
CID 21433929
5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 70563792
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-heptan-2-yl-2,2-dimethylchromen-5-ol
CID 44522573
8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 90678643
2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol
CID 44522939

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol?
The IUPAC name of 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol (CID 22973435) is 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol.
What is the SMILES notation for 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol?
The canonical SMILES for 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol is C#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCCCCC)cc1OC2(C)C.
What is the InChIKey of 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol?
The InChIKey is SGLZHXRONXAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-6-8-9-10-11-12-19(3)20-16-23(28)25-21-18-27(14-7-2)15-13-22(21)26(4,5)29-24(25)17-20/h2,16-17,19,28H,6,8-15,18H2,1,3-5H3.
What are the key properties of 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol?
5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol has a molecular weight of 395.59 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol is sourced from PubChem (CID 22973435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).