(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

C15H26 — CID 97102805

IUPAC(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESC[C@@H]1CC[C@H]2[C@H](CC[C@H]3CCCC[C@@H]32)C1
InChIInChI=1S/C15H26/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h11-15H,2-10H2,1H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyLZIXWAYLHWNUDT-ZSAUSMIDSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds

About (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (PubChem CID 97102805) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.

Molecular Properties

Compound Name(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
PubChem CID97102805
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESC[C@@H]1CC[C@H]2[C@H](CC[C@H]3CCCC[C@@H]32)C1
InChIInChI=1S/C15H26/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h11-15H,2-10H2,1H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyLZIXWAYLHWNUDT-ZSAUSMIDSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The IUPAC name of (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (CID 97102805) is (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.
What is the SMILES notation for (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The canonical SMILES for (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is C[C@@H]1CC[C@H]2[C@H](CC[C@H]3CCCC[C@@H]32)C1.
What is the InChIKey of (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The InChIKey is LZIXWAYLHWNUDT-ZSAUSMIDSA-N. The full InChI is InChI=1S/C15H26/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h11-15H,2-10H2,1H3/t11-,12-,13-,14+,15+/m1/s1.
What are the key properties of (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene has a molecular weight of 206.37 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is sourced from PubChem (CID 97102805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).