(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene

C18H20 — CID 135028758

IUPAC(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene
SMILESCC1=C(C)C2=CC=C3C(C)=C(C)C=C[C@H]3[C@@H]2C=C1
InChIInChI=1S/C18H20/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h5-10,17-18H,1-4H3/t17-,18-/m1/s1
InChIKeyIYFLHWRLMOXHLK-QZTJIDSGSA-N
MW236.36 g/mol
LogP4.90
Rot. Bonds

About (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene

(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene (PubChem CID 135028758) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene.

Molecular Properties

Compound Name(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene
PubChem CID135028758
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene
SMILESCC1=C(C)C2=CC=C3C(C)=C(C)C=C[C@H]3[C@@H]2C=C1
InChIInChI=1S/C18H20/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h5-10,17-18H,1-4H3/t17-,18-/m1/s1
InChIKeyIYFLHWRLMOXHLK-QZTJIDSGSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene?
The IUPAC name of (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene (CID 135028758) is (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene.
What is the SMILES notation for (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene?
The canonical SMILES for (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene is CC1=C(C)C2=CC=C3C(C)=C(C)C=C[C@H]3[C@@H]2C=C1.
What is the InChIKey of (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene?
The InChIKey is IYFLHWRLMOXHLK-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h5-10,17-18H,1-4H3/t17-,18-/m1/s1.
What are the key properties of (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene?
(4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene has a molecular weight of 236.36 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bS)-1,2,7,8-tetramethyl-4a,4b-dihydrophenanthrene is sourced from PubChem (CID 135028758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).