(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

C24H44 — CID 54058077

IUPAC(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCCCCCCCCCC[C@H]1CCC2C(CCC3CCCCC32)C1
InChIInChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-12-20-15-18-24-22(19-20)17-16-21-13-10-11-14-23(21)24/h20-24H,2-19H2,1H3/t20-,21?,22?,23?,24?/m0/s1
InChIKeyLXRRHNYEGMDWBJ-KVDPVTCVSA-N
MW332.62 g/mol
LogP8.15
Rot. Bonds9

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

(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (PubChem CID 54058077) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.

Molecular Properties

Compound Name(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
PubChem CID54058077
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCCCCCCCCCC[C@H]1CCC2C(CCC3CCCCC32)C1
InChIInChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-12-20-15-18-24-22(19-20)17-16-21-13-10-11-14-23(21)24/h20-24H,2-19H2,1H3/t20-,21?,22?,23?,24?/m0/s1
InChIKeyLXRRHNYEGMDWBJ-KVDPVTCVSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57268895
(2R,7R)-2-heptoxy-7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The IUPAC name of (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (CID 54058077) is (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.
What is the SMILES notation for (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The canonical SMILES for (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is CCCCCCCCCC[C@H]1CCC2C(CCC3CCCCC32)C1.
What is the InChIKey of (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The InChIKey is LXRRHNYEGMDWBJ-KVDPVTCVSA-N. The full InChI is InChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-12-20-15-18-24-22(19-20)17-16-21-13-10-11-14-23(21)24/h20-24H,2-19H2,1H3/t20-,21?,22?,23?,24?/m0/s1.
What are the key properties of (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene has a molecular weight of 332.62 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is sourced from PubChem (CID 54058077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).