(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene

C14H20 — CID 57022585

IUPAC(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
SMILESC1=CC2=C(CC1)CC[C@@H]1CCCC[C@H]21
InChIInChI=1S/C14H20/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h3,7,12,14H,1-2,4-6,8-10H2/t12-,14-/m0/s1
InChIKeyQMDUYVZGZUHYDA-JSGCOSHPSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

About (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene

(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene (PubChem CID 57022585) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene.

Molecular Properties

Compound Name(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
PubChem CID57022585
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
SMILESC1=CC2=C(CC1)CC[C@@H]1CCCC[C@H]21
InChIInChI=1S/C14H20/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h3,7,12,14H,1-2,4-6,8-10H2/t12-,14-/m0/s1
InChIKeyQMDUYVZGZUHYDA-JSGCOSHPSA-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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Related Compounds

1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 139483013
(1S)-1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 143343680
6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 142400058
(4aS,10aS)-5-chloro-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57120268
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
CID 142636500
3a,4,5,6,7,9b-hexahydrobenzo[e][1,3]benzodioxole
CID 66895402
(4aS,10aS)-5,7-dichloro-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57247407
5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
CID 142171931
2-cyclohexylcyclohexa-1,5-dien-1-ol
CID 173364898
ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
CID 153344153
N-cyclohexa-2,4-dien-1-ylpentacyclo[20.5.0.02,7.09,14.015,20]heptacosa-1(22),2(7),9(14),12,18-pentaen-18-amine
CID 139470391
1,2,3,4,4a,5,6,7a,8,9,10,11,11a,12b-tetradecahydrobenzo[a]phenazine
CID 58823898

Frequently Asked Questions

What is the IUPAC name of (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The IUPAC name of (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene (CID 57022585) is (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene.
What is the SMILES notation for (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The canonical SMILES for (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene is C1=CC2=C(CC1)CC[C@@H]1CCCC[C@H]21.
What is the InChIKey of (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The InChIKey is QMDUYVZGZUHYDA-JSGCOSHPSA-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/h3,7,12,14H,1-2,4-6,8-10H2/t12-,14-/m0/s1.
What are the key properties of (4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-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,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene is sourced from PubChem (CID 57022585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).