2,4,5-trimethylheptane

C10H21- — CID 90745776

IUPAC2,4,5-trimethylheptane
SMILESCCC(C)C(C)[CH-]C(C)C
InChIInChI=1S/C10H21/c1-6-9(4)10(5)7-8(2)3/h7-10H,6H2,1-5H3/q-1
InChIKeyRQZHLYNQNDRZQB-UHFFFAOYSA-N
MW141.28 g/mol
LogP3.53
Rot. Bonds4

About 2,4,5-trimethylheptane

2,4,5-trimethylheptane (PubChem CID 90745776) has the molecular formula C10H21- and a molecular weight of 141.28 g/mol. Its IUPAC name is 2,4,5-trimethylheptane.

Molecular Properties

Compound Name2,4,5-trimethylheptane
PubChem CID90745776
Molecular FormulaC10H21-
Molecular Weight141.28 g/mol
Exact Mass141.16
IUPAC Name2,4,5-trimethylheptane
SMILESCCC(C)C(C)[CH-]C(C)C
InChIInChI=1S/C10H21/c1-6-9(4)10(5)7-8(2)3/h7-10H,6H2,1-5H3/q-1
InChIKeyRQZHLYNQNDRZQB-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4R)-3-ethyl-4-methylhexane
CID 59954491
CID 91437014
CID 91437014
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
(2S,3R)-3-methylpentan-2-ol
CID 6993006
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(4S)-2,3,4-trimethylhexane
CID 58359072
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(2S,3S)-2-iodo-3-methylpentane
CID 88913110
2,3-dimethylpentane;ethane;methane
CID 143379754
(3R)-3,4-dimethylheptane
CID 59819300

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylheptane?
The IUPAC name of 2,4,5-trimethylheptane (CID 90745776) is 2,4,5-trimethylheptane.
What is the SMILES notation for 2,4,5-trimethylheptane?
The canonical SMILES for 2,4,5-trimethylheptane is CCC(C)C(C)[CH-]C(C)C.
What is the InChIKey of 2,4,5-trimethylheptane?
The InChIKey is RQZHLYNQNDRZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21/c1-6-9(4)10(5)7-8(2)3/h7-10H,6H2,1-5H3/q-1.
What are the key properties of 2,4,5-trimethylheptane?
2,4,5-trimethylheptane has a molecular weight of 141.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylheptane is sourced from PubChem (CID 90745776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).