10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]

C32H54O2 — CID 71438275

About 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]

10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] (PubChem CID 71438275) has the molecular formula C32H54O2 and a molecular weight of 470.78 g/mol. Its IUPAC name is 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene].

Molecular Properties

• Compound Name: 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]
• PubChem CID: 71438275
• Molecular Formula: C32H54O2
• Molecular Weight: 470.78 g/mol
• Exact Mass: 470.41
• IUPAC Name: 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]
• SMILES: CC(C)=C1CC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)CC12OCCO2
• InChI: InChI=1S/C32H54O2/c1-21(2)9-8-10-23(5)26-13-14-27-25-12-11-24-19-32(33-17-18-34-32)29(22(3)4)20-31(24,7)28(25)15-16-30(26,27)6/h21,23-28H,8-20H2,1-7H3
• InChIKey: RQCFBLKZDXXWHV-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.78
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]?

The IUPAC name of 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] (CID 71438275) is 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene].

What is the SMILES notation for 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]?

The canonical SMILES for 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] is CC(C)=C1CC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)CC12OCCO2.

What is the InChIKey of 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]?

The InChIKey is RQCFBLKZDXXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O2/c1-21(2)9-8-10-23(5)26-13-14-27-25-12-11-24-19-32(33-17-18-34-32)29(22(3)4)20-31(24,7)28(25)15-16-30(26,27)6/h21,23-28H,8-20H2,1-7H3.

What are the key properties of 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]?

10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] has a molecular weight of 470.78 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10',13'-dimethyl-17'-(6-methylheptan-2-yl)-2'-propan-2-ylidenespiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene] is sourced from PubChem (CID 71438275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).