(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium

C14H23O2+ — CID 1333

IUPAC(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium
SMILES[H][O+]=C1C2CCCCC2C(O)C2CCCCC12
InChIInChI=1S/C14H22O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h9-13,15H,1-8H2/p+1
InChIKeyNAFGJRMQTYNREJ-UHFFFAOYSA-O
MW223.34 g/mol
LogP2.52
Rot. Bonds

About (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium

(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium (PubChem CID 1333) has the molecular formula C14H23O2+ and a molecular weight of 223.34 g/mol. Its IUPAC name is (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium.

Molecular Properties

Compound Name(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium
PubChem CID1333
Molecular FormulaC14H23O2+
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium
SMILES[H][O+]=C1C2CCCCC2C(O)C2CCCCC12
InChIInChI=1S/C14H22O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h9-13,15H,1-8H2/p+1
InChIKeyNAFGJRMQTYNREJ-UHFFFAOYSA-O
XLogP2.52
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11beta-Hydroxyandrosterone
CID 10286365
Coriandrinonediol
CID 131752470
Zeylanol
CID 44575289
4-Hydroxypiperitone
CID 525916
1-[(2S,4bS,7R,8aS)-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]propan-2-one
CID 9971609
(4R,4aS,5R,6aS,6aS,6bR,8aS,12aS,14aR,14bS)-5-hydroxy-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
CID 44575290
11beta-Hydroxyetiocholanolone
CID 101849
11-Hydroxyandrosterone
CID 21139727
1-[(2S,4bS,7R,8aS)-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]ethanone
CID 10378845
(3S,5R,8S,9R,10R,13S,14R)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one
CID 76332039
2R-hydroxy-7-oxogeosmin
CID 156580774
11-beta-Hydroxyandrosterone
CID 244945

Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium?
The IUPAC name of (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium (CID 1333) is (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium.
What is the SMILES notation for (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium?
The canonical SMILES for (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium is [H][O+]=C1C2CCCCC2C(O)C2CCCCC12.
What is the InChIKey of (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium?
The InChIKey is NAFGJRMQTYNREJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h9-13,15H,1-8H2/p+1.
What are the key properties of (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium?
(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium has a molecular weight of 223.34 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium is sourced from PubChem (CID 1333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).