(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane

C25H52 — CID 159937980

IUPAC(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
SMILESCC[C@H](C)[C@H](C)C(C)(C)C(C)(C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)C(C)C
InChIInChI=1S/C25H52/c1-15-17(4)22(9)24(11,12)25(13,14)23(10)21(8)20(7)19(6)18(5)16(2)3/h16-23H,15H2,1-14H3/t17-,18+,19+,20+,21+,22-,23+/m0/s1
InChIKeyXFJWWVCFSHKLOA-LMRPSFLQSA-N
MW352.69 g/mol
LogP8.56
Rot. Bonds10

About (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane

(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane (PubChem CID 159937980) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane.

Molecular Properties

Compound Name(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
PubChem CID159937980
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
SMILESCC[C@H](C)[C@H](C)C(C)(C)C(C)(C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)C(C)C
InChIInChI=1S/C25H52/c1-15-17(4)22(9)24(11,12)25(13,14)23(10)21(8)20(7)19(6)18(5)16(2)3/h16-23H,15H2,1-14H3/t17-,18+,19+,20+,21+,22-,23+/m0/s1
InChIKeyXFJWWVCFSHKLOA-LMRPSFLQSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,5,6,7-hexamethylnonane
CID 91311352
2,2,3,4,5-pentamethylheptane
CID 53428630
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585
(4S)-2,3,4-trimethylhexane
CID 58359072
2,4,4,5,6-pentamethyloctane
CID 57491109
3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
CID 91511171
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane
CID 158532136
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane?
The IUPAC name of (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane (CID 159937980) is (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane.
What is the SMILES notation for (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane?
The canonical SMILES for (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane is CC[C@H](C)[C@H](C)C(C)(C)C(C)(C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)C(C)C.
What is the InChIKey of (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane?
The InChIKey is XFJWWVCFSHKLOA-LMRPSFLQSA-N. The full InChI is InChI=1S/C25H52/c1-15-17(4)22(9)24(11,12)25(13,14)23(10)21(8)20(7)19(6)18(5)16(2)3/h16-23H,15H2,1-14H3/t17-,18+,19+,20+,21+,22-,23+/m0/s1.
What are the key properties of (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane?
(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane has a molecular weight of 352.69 g/mol, XLogP of 8.56, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane is sourced from PubChem (CID 159937980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).