(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene

C15H24 — CID 59720392

IUPAC(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
SMILESC[C@@]12CCCC[C@H]1CCC1CCCC=C12
InChIInChI=1S/C15H24/c1-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h8,12-13H,2-7,9-11H2,1H3/t12?,13-,15+/m0/s1
InChIKeyMYPPZZRRCFWPNQ-RGPPAHDHSA-N
MW204.36 g/mol
LogP4.70
Rot. Bonds

About (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene

(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene (PubChem CID 59720392) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene.

Molecular Properties

Compound Name(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
PubChem CID59720392
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
SMILESC[C@@]12CCCC[C@H]1CCC1CCCC=C12
InChIInChI=1S/C15H24/c1-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h8,12-13H,2-7,9-11H2,1H3/t12?,13-,15+/m0/s1
InChIKeyMYPPZZRRCFWPNQ-RGPPAHDHSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene?
The IUPAC name of (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene (CID 59720392) is (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene.
What is the SMILES notation for (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene?
The canonical SMILES for (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene is C[C@@]12CCCC[C@H]1CCC1CCCC=C12.
What is the InChIKey of (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene?
The InChIKey is MYPPZZRRCFWPNQ-RGPPAHDHSA-N. The full InChI is InChI=1S/C15H24/c1-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h8,12-13H,2-7,9-11H2,1H3/t12?,13-,15+/m0/s1.
What are the key properties of (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene?
(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene has a molecular weight of 204.36 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene is sourced from PubChem (CID 59720392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).