(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde

C23H34O3 — CID 142980424

IUPAC(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde
SMILESCCCC1(C)/C(=C\C=O)CCC2C1CCC1(C)C2CCC12CCC(=O)O2
InChIInChI=1S/C23H34O3/c1-4-11-21(2)16(10-15-24)5-6-17-18(21)7-12-22(3)19(17)8-13-23(22)14-9-20(25)26-23/h10,15,17-19H,4-9,11-14H2,1-3H3/b16-10-
InChIKeyLNIMLGDLJPENRP-YBEGLDIGSA-N
MW358.52 g/mol
LogP5.23
Rot. Bonds3

About (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde

(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde (PubChem CID 142980424) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde
PubChem CID142980424
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde
SMILESCCCC1(C)/C(=C\C=O)CCC2C1CCC1(C)C2CCC12CCC(=O)O2
InChIInChI=1S/C23H34O3/c1-4-11-21(2)16(10-15-24)5-6-17-18(21)7-12-22(3)19(17)8-13-23(22)14-9-20(25)26-23/h10,15,17-19H,4-9,11-14H2,1-3H3/b16-10-
InChIKeyLNIMLGDLJPENRP-YBEGLDIGSA-N
XLogP5.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10R,13S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 18594033
(8R,9S,10S,13R,14R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 11888958
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7076287
(10R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;methyl formate
CID 143813059
S-(10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-1-yl) methanethioate
CID 59409133
(10,13-dimethyl-5'-oxospiro[1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-yl) acetate
CID 3780168
CID 10788189
CID 10788189
CID 44582606
CID 44582606
(3R,8S,9R,10R,13S,14S,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 124902421
(10R,13S)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 17386583
1-ethoxy-10,13-dimethylspiro[3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 632806
(8S,9S,10R,13S,14S,17R)-10,13-dimethylspiro[1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3,11-trione
CID 95560774

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde (CID 142980424) is (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde is CCCC1(C)/C(=C\C=O)CCC2C1CCC1(C)C2CCC12CCC(=O)O2.
What is the InChIKey of (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde?
The InChIKey is LNIMLGDLJPENRP-YBEGLDIGSA-N. The full InChI is InChI=1S/C23H34O3/c1-4-11-21(2)16(10-15-24)5-6-17-18(21)7-12-22(3)19(17)8-13-23(22)14-9-20(25)26-23/h10,15,17-19H,4-9,11-14H2,1-3H3/b16-10-.
What are the key properties of (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde?
(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde has a molecular weight of 358.52 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde is sourced from PubChem (CID 142980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).