(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene

C14H20 — CID 12714337

IUPAC(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
SMILESC1=C2CCCC[C@H]2[C@H]2CCCCC2=C1
InChIInChI=1S/C14H20/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10,13-14H,1-8H2/t13-,14+
InChIKeyHTMJMVLSHPCPSE-OKILXGFUSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

About (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene

(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene (PubChem CID 12714337) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene.

Molecular Properties

Compound Name(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
PubChem CID12714337
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
SMILESC1=C2CCCC[C@H]2[C@H]2CCCCC2=C1
InChIInChI=1S/C14H20/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10,13-14H,1-8H2/t13-,14+
InChIKeyHTMJMVLSHPCPSE-OKILXGFUSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene?
The IUPAC name of (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene (CID 12714337) is (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene.
What is the SMILES notation for (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene?
The canonical SMILES for (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene is C1=C2CCCC[C@H]2[C@H]2CCCCC2=C1.
What is the InChIKey of (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene?
The InChIKey is HTMJMVLSHPCPSE-OKILXGFUSA-N. The full InChI is InChI=1S/C14H20/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10,13-14H,1-8H2/t13-,14+.
What are the key properties of (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene?
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene is sourced from PubChem (CID 12714337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).