CID 142612930

C24H36O4 — CID 142612930

IUPAC—
SMILESC=C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H36O4/c1-3-22-10-11-23(25-12-13-26-23)16-17(22)4-5-18-19-7-9-24(27-14-15-28-24)21(19,2)8-6-20(18)22/h3,17-20H,1,4-16H2,2H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKeyWOXFJBKICLWFBM-GUCLMQHLSA-N
MW388.55 g/mol
LogP4.68
Rot. Bonds1

About CID 142612930

CID 142612930 (PubChem CID 142612930) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol.

Molecular Properties

Compound NameCID 142612930
PubChem CID142612930
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name—
SMILESC=C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H36O4/c1-3-22-10-11-23(25-12-13-26-23)16-17(22)4-5-18-19-7-9-24(27-14-15-28-24)21(19,2)8-6-20(18)22/h3,17-20H,1,4-16H2,2H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKeyWOXFJBKICLWFBM-GUCLMQHLSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 88746780
(5'S,8'R,9'R,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene]
CID 11872550
(3'S,8'R,9'S,10'S,13'S,14'S)-10',13'-dimethyl-3'-prop-2-enylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-ol
CID 11349337
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(5'R,8'R,9'R,10'S,13'S,14'R,17'S)-17'-ethynyl-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 124916693
(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 99566197
(2'S,8'S,11'R,12'S,16'S)-2',16'-dimethyl-5'-nitrosospiro[1,3-dioxolane-2,15'-tetracyclo[9.7.0.02,8.012,16]octadecane]
CID 123679351
CID 87709625
CID 87709625
CID 87709992
CID 87709992

Frequently Asked Questions

What is the IUPAC name of CID 142612930?
The IUPAC name of CID 142612930 (CID 142612930) is not available.
What is the SMILES notation for CID 142612930?
The canonical SMILES for CID 142612930 is C=C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 142612930?
The InChIKey is WOXFJBKICLWFBM-GUCLMQHLSA-N. The full InChI is InChI=1S/C24H36O4/c1-3-22-10-11-23(25-12-13-26-23)16-17(22)4-5-18-19-7-9-24(27-14-15-28-24)21(19,2)8-6-20(18)22/h3,17-20H,1,4-16H2,2H3/t17-,18+,19+,20+,21+,22+/m1/s1.
What are the key properties of CID 142612930?
CID 142612930 has a molecular weight of 388.55 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142612930 is sourced from PubChem (CID 142612930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).