CID 70657816

C25H34O3 — CID 70657816

IUPAC—
SMILESCC12CCC(=O)C3(CC=CC3)C1=CCC1[C@@H]2CCC2(C)[C@H]1CCC21OCCO1
InChIInChI=1S/C25H34O3/c1-22-12-9-21(26)24(10-3-4-11-24)20(22)6-5-17-18(22)7-13-23(2)19(17)8-14-25(23)27-15-16-28-25/h3-4,6,17-19H,5,7-16H2,1-2H3/t17?,18-,19-,22?,23?/m0/s1
InChIKeyZDNPRMHWRXIFGJ-PKTDYXBLSA-N
MW382.54 g/mol
LogP5.21
Rot. Bonds

About CID 70657816

CID 70657816 (PubChem CID 70657816) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol.

Molecular Properties

Compound NameCID 70657816
PubChem CID70657816
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name—
SMILESCC12CCC(=O)C3(CC=CC3)C1=CCC1[C@@H]2CCC2(C)[C@H]1CCC21OCCO1
InChIInChI=1S/C25H34O3/c1-22-12-9-21(26)24(10-3-4-11-24)20(22)6-5-17-18(22)7-13-23(2)19(17)8-14-25(23)27-15-16-28-25/h3-4,6,17-19H,5,7-16H2,1-2H3/t17?,18-,19-,22?,23?/m0/s1
InChIKeyZDNPRMHWRXIFGJ-PKTDYXBLSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 118650143
CID 118650143
CID 59202724
CID 59202724
(8S,9R,10S,13R,14R)-4,4,10,13-tetramethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one
CID 124912186
CID 70657823
CID 70657823
CID 118650146
CID 118650146
(8S,9R,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 125027740
(17S)-17-hydroxy-4,4,10,13,17-pentamethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 117066143
(3S,8R,10R,13S,14S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 146888028
(3R,8R,9S,10S,13R,14R)-3-chloro-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867973
(8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthrene]-3'-one
CID 66920209
CID 13370497
CID 13370497
actinium;(10R,13S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol;(10'R,13'S)-3'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-7'-one
CID 157490658

Frequently Asked Questions

What is the IUPAC name of CID 70657816?
The IUPAC name of CID 70657816 (CID 70657816) is not available.
What is the SMILES notation for CID 70657816?
The canonical SMILES for CID 70657816 is CC12CCC(=O)C3(CC=CC3)C1=CCC1[C@@H]2CCC2(C)[C@H]1CCC21OCCO1.
What is the InChIKey of CID 70657816?
The InChIKey is ZDNPRMHWRXIFGJ-PKTDYXBLSA-N. The full InChI is InChI=1S/C25H34O3/c1-22-12-9-21(26)24(10-3-4-11-24)20(22)6-5-17-18(22)7-13-23(2)19(17)8-14-25(23)27-15-16-28-25/h3-4,6,17-19H,5,7-16H2,1-2H3/t17?,18-,19-,22?,23?/m0/s1.
What are the key properties of CID 70657816?
CID 70657816 has a molecular weight of 382.54 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70657816 is sourced from PubChem (CID 70657816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).