(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne

C20H37NO — CID 118520931

IUPAC(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne
SMILESC#CC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)N=O
InChIInChI=1S/C20H37NO/c1-7-20(6,21-22)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19H,8-16H2,2-6H3/t18-,19-,20?/m1/s1
InChIKeyKKUKBVWXCKFMBP-LEAGNCFPSA-N
MW307.52 g/mol
LogP6.58
Rot. Bonds13

About (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne

(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne (PubChem CID 118520931) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne.

Molecular Properties

Compound Name(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne
PubChem CID118520931
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne
SMILESC#CC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)N=O
InChIInChI=1S/C20H37NO/c1-7-20(6,21-22)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19H,8-16H2,2-6H3/t18-,19-,20?/m1/s1
InChIKeyKKUKBVWXCKFMBP-LEAGNCFPSA-N
XLogP6.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
CID 3268041
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
3,7,11,15-tetramethylhexadec-1-yne
CID 90737632
6,10,14-trimethylpentadec-1-yne
CID 72780458
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250
(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol
CID 22623411
3-ethyl-2,2,3,7,11-pentamethyldodecane
CID 166045645
2,5,9,13-tetramethyltetradecane
CID 58292409
2,6,10-trimethylundecan-2-ylcyclohexane
CID 140656287
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne?
The IUPAC name of (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne (CID 118520931) is (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne.
What is the SMILES notation for (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne?
The canonical SMILES for (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne is C#CC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)N=O.
What is the InChIKey of (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne?
The InChIKey is KKUKBVWXCKFMBP-LEAGNCFPSA-N. The full InChI is InChI=1S/C20H37NO/c1-7-20(6,21-22)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19H,8-16H2,2-6H3/t18-,19-,20?/m1/s1.
What are the key properties of (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne?
(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne has a molecular weight of 307.52 g/mol, XLogP of 6.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne is sourced from PubChem (CID 118520931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).