1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

C14H24 — CID 21971

IUPAC1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESC1CCC2C(C1)CCC1CCCCC12
InChIInChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2
InChIKeyGNMCGMFNBARSIY-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.39
Rot. Bonds

About 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (PubChem CID 21971) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
PubChem CID21971
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESC1CCC2C(C1)CCC1CCCCC12
InChIInChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2
InChIKeyGNMCGMFNBARSIY-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Perhydropyrene
CID 75524
Naphthalene, decahydro-2,3-dimethyl-
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Naphthalene, decahydro-2,6-dimethyl-
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Amorphane
CID 34540
Naphthalene, decahydro-1,4-dimethyl-5-octyl-
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2-Methyladamantane
CID 136535
2-n-Butyldecahydronaphthalene
CID 237522
Anthracene, 9-dodecyltetradecahydro-
CID 294752
9-n-Dodecylperhydrophenanthrene
CID 296267

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The IUPAC name of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (CID 21971) is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.
What is the SMILES notation for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The canonical SMILES for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is C1CCC2C(C1)CCC1CCCCC12.
What is the InChIKey of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The InChIKey is GNMCGMFNBARSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2.
What are the key properties of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene has a molecular weight of 192.35 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is sourced from PubChem (CID 21971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).