(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]

C21H36 — CID 143481590

IUPAC(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]
SMILESCC(C)C1CCC2C(CCC3C4(CCC[C@]23C)C[C@H]4C)C1
InChIInChI=1S/C21H36/c1-14(2)16-6-8-18-17(12-16)7-9-19-20(18,4)10-5-11-21(19)13-15(21)3/h14-19H,5-13H2,1-4H3/t15-,16?,17?,18?,19?,20-,21?/m1/s1
InChIKeyWWCWCRJUWGFEBB-CWQVBRBPSA-N
MW288.52 g/mol
LogP6.30
Rot. Bonds1

About (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]

(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] (PubChem CID 143481590) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane].

Molecular Properties

Compound Name(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]
PubChem CID143481590
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]
SMILESCC(C)C1CCC2C(CCC3C4(CCC[C@]23C)C[C@H]4C)C1
InChIInChI=1S/C21H36/c1-14(2)16-6-8-18-17(12-16)7-9-19-20(18,4)10-5-11-21(19)13-15(21)3/h14-19H,5-13H2,1-4H3/t15-,16?,17?,18?,19?,20-,21?/m1/s1
InChIKeyWWCWCRJUWGFEBB-CWQVBRBPSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]?
The IUPAC name of (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] (CID 143481590) is (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane].
What is the SMILES notation for (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]?
The canonical SMILES for (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] is CC(C)C1CCC2C(CCC3C4(CCC[C@]23C)C[C@H]4C)C1.
What is the InChIKey of (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]?
The InChIKey is WWCWCRJUWGFEBB-CWQVBRBPSA-N. The full InChI is InChI=1S/C21H36/c1-14(2)16-6-8-18-17(12-16)7-9-19-20(18,4)10-5-11-21(19)13-15(21)3/h14-19H,5-13H2,1-4H3/t15-,16?,17?,18?,19?,20-,21?/m1/s1.
What are the key properties of (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane]?
(2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] has a molecular weight of 288.52 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4bR)-2',4b-dimethyl-2-propan-2-ylspiro[1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-8,1'-cyclopropane] is sourced from PubChem (CID 143481590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).